N-benzyl-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide

C24H34N4O2 — CID 110195205

About N-benzyl-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide

N-benzyl-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide (PubChem CID 110195205) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-benzyl-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-benzyl-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide
• PubChem CID: 110195205
• Molecular Formula: C24H34N4O2
• Molecular Weight: 410.56 g/mol
• Exact Mass: 410.27
• IUPAC Name: N-benzyl-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide
• SMILES: O=C(NCc1ccccc1)N1CCC(N2C[C@H]3C[C@H](C2)[C@H]2CCCC(=O)N2C3)CC1
• InChI: InChI=1S/C24H34N4O2/c29-23-8-4-7-22-20-13-19(16-28(22)23)15-27(17-20)21-9-11-26(12-10-21)24(30)25-14-18-5-2-1-3-6-18/h1-3,5-6,19-22H,4,7-17H2,(H,25,30)/t19-,20-,22-/m1/s1
• InChIKey: CAIMEXJYKKHHKE-KCZVDYSFSA-N
• XLogP: 2.69
• TPSA: 55.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.56
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide?

The IUPAC name of N-benzyl-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide (CID 110195205) is N-benzyl-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide.

What is the SMILES notation for N-benzyl-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide?

The canonical SMILES for N-benzyl-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide is O=C(NCc1ccccc1)N1CCC(N2C[C@H]3C[C@H](C2)[C@H]2CCCC(=O)N2C3)CC1.

What is the InChIKey of N-benzyl-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide?

The InChIKey is CAIMEXJYKKHHKE-KCZVDYSFSA-N. The full InChI is InChI=1S/C24H34N4O2/c29-23-8-4-7-22-20-13-19(16-28(22)23)15-27(17-20)21-9-11-26(12-10-21)24(30)25-14-18-5-2-1-3-6-18/h1-3,5-6,19-22H,4,7-17H2,(H,25,30)/t19-,20-,22-/m1/s1.

What are the key properties of N-benzyl-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide?

N-benzyl-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide has a molecular weight of 410.56 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide is sourced from PubChem (CID 110195205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).