4-[(3-hydroxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]-N,N-dimethylbenzamide;[4-[(3-hydroxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone;4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]-N,N-dimethylbenzamide;[4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]phenyl]-piperidin-1-ylmethanone;[4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone

C145H189N15O10 — CID 159899101

About 4-[(3-hydroxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]-N,N-dimethylbenzamide;[4-[(3-hydroxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone;4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]-N,N-dimethylbenzamide;[4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]phenyl]-piperidin-1-ylmethanone;[4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone

4-[(3-hydroxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]-N,N-dimethylbenzamide;[4-[(3-hydroxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone;4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]-N,N-dimethylbenzamide;[4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]phenyl]-piperidin-1-ylmethanone;[4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 159899101) has the molecular formula C145H189N15O10 and a molecular weight of 2302.20 g/mol. Its IUPAC name is 4-[(3-hydroxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]-N,N-dimethylbenzamide;[4-[(3-hydroxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone;4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]-N,N-dimethylbenzamide;[4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]phenyl]-piperidin-1-ylmethanone;[4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

• Compound Name: 4-[(3-hydroxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]-N,N-dimethylbenzamide;[4-[(3-hydroxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone;4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]-N,N-dimethylbenzamide;[4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]phenyl]-piperidin-1-ylmethanone;[4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone
• PubChem CID: 159899101
• Molecular Formula: C145H189N15O10
• Molecular Weight: 2302.20 g/mol
• Exact Mass: 2300.47
• IUPAC Name: 4-[(3-hydroxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]-N,N-dimethylbenzamide;[4-[(3-hydroxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone;4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]-N,N-dimethylbenzamide;[4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]phenyl]-piperidin-1-ylmethanone;[4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone
• SMILES: C=CCN1C2CCCC1CN(C(c1ccc(C(=O)N(C)C)cc1)c1cccc(O)c1)CC2.C=CCN1C2CCCC1CN(C(c1ccc(C(=O)N(C)C)cc1)c1cccc(OC)c1)CC2.C=CCN1C2CCCC1CN(C(c1ccc(C(=O)N3CCCC3)cc1)c1cccc(O)c1)CC2.C=CCN1C2CCCC1CN(C(c1ccc(C(=O)N3CCCC3)cc1)c1cccc(OC)c1)CC2.C=CCN1C2CCCC1CN(C(c1ccc(C(=O)N3CCCCC3)cc1)c1cccc(OC)c1)CC2
• InChI: InChI=1S/C31H41N3O2.C30H39N3O2.C29H37N3O2.C28H37N3O2.C27H35N3O2/c1-3-18-34-27-10-8-11-28(34)23-33(21-17-27)30(26-9-7-12-29(22-26)36-2)24-13-15-25(16-14-24)31(35)32-19-5-4-6-20-32;1-3-17-33-26-9-7-10-27(33)22-32(20-16-26)29(25-8-6-11-28(21-25)35-2)23-12-14-24(15-13-23)30(34)31-18-4-5-19-31;1-2-16-32-25-8-6-9-26(32)21-31(19-15-25)28(24-7-5-10-27(33)20-24)22-11-13-23(14-12-22)29(34)30-17-3-4-18-30;1-5-17-31-24-9-7-10-25(31)20-30(18-16-24)27(23-8-6-11-26(19-23)33-4)21-12-14-22(15-13-21)28(32)29(2)3;1-4-16-30-23-8-6-9-24(30)19-29(17-15-23)26(22-7-5-10-25(31)18-22)20-11-13-21(14-12-20)27(32)28(2)3/h3,7,9,12-16,22,27-28,30H,1,4-6,8,10-11,17-21,23H2,2H3;3,6,8,11-15,21,26-27,29H,1,4-5,7,9-10,16-20,22H2,2H3;2,5,7,10-14,20,25-26,28,33H,1,3-4,6,8-9,15-19,21H2;5-6,8,11-15,19,24-25,27H,1,7,9-10,16-18,20H2,2-4H3;4-5,7,10-14,18,23-24,26,31H,1,6,8-9,15-17,19H2,2-3H3
• InChIKey: NVSMBAAWPITQMB-UHFFFAOYSA-N
• XLogP: 24.39
• TPSA: 202.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 33
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2302.20
LogP ≤ 5	24.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]-N,N-dimethylbenzamide;[4-[(3-hydroxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone;4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]-N,N-dimethylbenzamide;[4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]phenyl]-piperidin-1-ylmethanone;[4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone?

The IUPAC name of 4-[(3-hydroxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]-N,N-dimethylbenzamide;[4-[(3-hydroxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone;4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]-N,N-dimethylbenzamide;[4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]phenyl]-piperidin-1-ylmethanone;[4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone (CID 159899101) is 4-[(3-hydroxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]-N,N-dimethylbenzamide;[4-[(3-hydroxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone;4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]-N,N-dimethylbenzamide;[4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]phenyl]-piperidin-1-ylmethanone;[4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone.

What is the SMILES notation for 4-[(3-hydroxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]-N,N-dimethylbenzamide;[4-[(3-hydroxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone;4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]-N,N-dimethylbenzamide;[4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]phenyl]-piperidin-1-ylmethanone;[4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone?

The canonical SMILES for 4-[(3-hydroxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]-N,N-dimethylbenzamide;[4-[(3-hydroxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone;4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]-N,N-dimethylbenzamide;[4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]phenyl]-piperidin-1-ylmethanone;[4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone is C=CCN1C2CCCC1CN(C(c1ccc(C(=O)N(C)C)cc1)c1cccc(O)c1)CC2.C=CCN1C2CCCC1CN(C(c1ccc(C(=O)N(C)C)cc1)c1cccc(OC)c1)CC2.C=CCN1C2CCCC1CN(C(c1ccc(C(=O)N3CCCC3)cc1)c1cccc(O)c1)CC2.C=CCN1C2CCCC1CN(C(c1ccc(C(=O)N3CCCC3)cc1)c1cccc(OC)c1)CC2.C=CCN1C2CCCC1CN(C(c1ccc(C(=O)N3CCCCC3)cc1)c1cccc(OC)c1)CC2.

What is the InChIKey of 4-[(3-hydroxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]-N,N-dimethylbenzamide;[4-[(3-hydroxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone;4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]-N,N-dimethylbenzamide;[4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]phenyl]-piperidin-1-ylmethanone;[4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone?

The InChIKey is NVSMBAAWPITQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N3O2.C30H39N3O2.C29H37N3O2.C28H37N3O2.C27H35N3O2/c1-3-18-34-27-10-8-11-28(34)23-33(21-17-27)30(26-9-7-12-29(22-26)36-2)24-13-15-25(16-14-24)31(35)32-19-5-4-6-20-32;1-3-17-33-26-9-7-10-27(33)22-32(20-16-26)29(25-8-6-11-28(21-25)35-2)23-12-14-24(15-13-23)30(34)31-18-4-5-19-31;1-2-16-32-25-8-6-9-26(32)21-31(19-15-25)28(24-7-5-10-27(33)20-24)22-11-13-23(14-12-22)29(34)30-17-3-4-18-30;1-5-17-31-24-9-7-10-25(31)20-30(18-16-24)27(23-8-6-11-26(19-23)33-4)21-12-14-22(15-13-21)28(32)29(2)3;1-4-16-30-23-8-6-9-24(30)19-29(17-15-23)26(22-7-5-10-25(31)18-22)20-11-13-21(14-12-20)27(32)28(2)3/h3,7,9,12-16,22,27-28,30H,1,4-6,8,10-11,17-21,23H2,2H3;3,6,8,11-15,21,26-27,29H,1,4-5,7,9-10,16-20,22H2,2H3;2,5,7,10-14,20,25-26,28,33H,1,3-4,6,8-9,15-19,21H2;5-6,8,11-15,19,24-25,27H,1,7,9-10,16-18,20H2,2-4H3;4-5,7,10-14,18,23-24,26,31H,1,6,8-9,15-17,19H2,2-3H3.

What are the key properties of 4-[(3-hydroxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]-N,N-dimethylbenzamide;[4-[(3-hydroxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone;4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]-N,N-dimethylbenzamide;[4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]phenyl]-piperidin-1-ylmethanone;[4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone?

4-[(3-hydroxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]-N,N-dimethylbenzamide;[4-[(3-hydroxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone;4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]-N,N-dimethylbenzamide;[4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]phenyl]-piperidin-1-ylmethanone;[4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 2302.20 g/mol, XLogP of 24.39, 33 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3-hydroxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]-N,N-dimethylbenzamide;[4-[(3-hydroxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone;4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]-N,N-dimethylbenzamide;[4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]phenyl]-piperidin-1-ylmethanone;[4-[(3-methoxyphenyl)-(10-prop-2-enyl-3,10-diazabicyclo[4.3.1]decan-3-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 159899101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).