(3R,4S)-N-cyclopropyl-4-dibenzofuran-4-yl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;(3R,4S)-N-cyclopropyl-4-[1-[(3-ethyl-5-methoxyphenyl)methyl]indol-3-yl]-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;(3R,4S)-N-cyclopropyl-4-(1H-inden-2-yl)-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide

C105H122N10O8 — CID 90809699

About (3R,4S)-N-cyclopropyl-4-dibenzofuran-4-yl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;(3R,4S)-N-cyclopropyl-4-[1-[(3-ethyl-5-methoxyphenyl)methyl]indol-3-yl]-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;(3R,4S)-N-cyclopropyl-4-(1H-inden-2-yl)-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide

(3R,4S)-N-cyclopropyl-4-dibenzofuran-4-yl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;(3R,4S)-N-cyclopropyl-4-[1-[(3-ethyl-5-methoxyphenyl)methyl]indol-3-yl]-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;(3R,4S)-N-cyclopropyl-4-(1H-inden-2-yl)-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide (PubChem CID 90809699) has the molecular formula C105H122N10O8 and a molecular weight of 1652.19 g/mol. Its IUPAC name is (3R,4S)-N-cyclopropyl-4-dibenzofuran-4-yl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;(3R,4S)-N-cyclopropyl-4-[1-[(3-ethyl-5-methoxyphenyl)methyl]indol-3-yl]-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;(3R,4S)-N-cyclopropyl-4-(1H-inden-2-yl)-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R,4S)-N-cyclopropyl-4-dibenzofuran-4-yl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;(3R,4S)-N-cyclopropyl-4-[1-[(3-ethyl-5-methoxyphenyl)methyl]indol-3-yl]-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;(3R,4S)-N-cyclopropyl-4-(1H-inden-2-yl)-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide
• PubChem CID: 90809699
• Molecular Formula: C105H122N10O8
• Molecular Weight: 1652.19 g/mol
• Exact Mass: 1650.94
• IUPAC Name: (3R,4S)-N-cyclopropyl-4-dibenzofuran-4-yl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;(3R,4S)-N-cyclopropyl-4-[1-[(3-ethyl-5-methoxyphenyl)methyl]indol-3-yl]-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;(3R,4S)-N-cyclopropyl-4-(1H-inden-2-yl)-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide
• SMILES: CCc1cc(Cn2cc([C@H]3CCNC[C@@H]3C(=O)N(Cc3cn(CCCOC)c4ccccc34)C3CC3)c3ccccc32)cc(OC)c1.COCCCn1cc(CN(C(=O)[C@H]2CNCC[C@@H]2C2=Cc3ccccc3C2)C2CC2)c2ccccc21.COCCCn1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2cccc3c2oc2ccccc23)C2CC2)c2ccccc21
• InChI: InChI=1S/C40H48N4O3.C34H37N3O3.C31H37N3O2/c1-4-28-20-29(22-32(21-28)47-3)24-43-27-37(35-11-6-8-13-39(35)43)34-16-17-41-23-36(34)40(45)44(31-14-15-31)26-30-25-42(18-9-19-46-2)38-12-7-5-10-33(30)38;1-39-19-7-18-36-21-23(25-8-2-4-12-31(25)36)22-37(24-14-15-24)34(38)30-20-35-17-16-26(30)28-10-6-11-29-27-9-3-5-13-32(27)40-33(28)29;1-36-16-6-15-33-20-25(28-9-4-5-10-30(28)33)21-34(26-11-12-26)31(35)29-19-32-14-13-27(29)24-17-22-7-2-3-8-23(22)18-24/h5-8,10-13,20-22,25,27,31,34,36,41H,4,9,14-19,23-24,26H2,1-3H3;2-6,8-13,21,24,26,30,35H,7,14-20,22H2,1H3;2-5,7-10,17,20,26-27,29,32H,6,11-16,18-19,21H2,1H3/t34-,36-;26-,30+;27-,29+/m011/s1
• InChIKey: XXBNFIMPCVUWLB-QJKJWXAUSA-N
• XLogP: 18.63
• TPSA: 166.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 31
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1652.19
LogP ≤ 5	18.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-cyclopropyl-4-dibenzofuran-4-yl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;(3R,4S)-N-cyclopropyl-4-[1-[(3-ethyl-5-methoxyphenyl)methyl]indol-3-yl]-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;(3R,4S)-N-cyclopropyl-4-(1H-inden-2-yl)-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide?

The IUPAC name of (3R,4S)-N-cyclopropyl-4-dibenzofuran-4-yl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;(3R,4S)-N-cyclopropyl-4-[1-[(3-ethyl-5-methoxyphenyl)methyl]indol-3-yl]-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;(3R,4S)-N-cyclopropyl-4-(1H-inden-2-yl)-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide (CID 90809699) is (3R,4S)-N-cyclopropyl-4-dibenzofuran-4-yl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;(3R,4S)-N-cyclopropyl-4-[1-[(3-ethyl-5-methoxyphenyl)methyl]indol-3-yl]-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;(3R,4S)-N-cyclopropyl-4-(1H-inden-2-yl)-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide.

What is the SMILES notation for (3R,4S)-N-cyclopropyl-4-dibenzofuran-4-yl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;(3R,4S)-N-cyclopropyl-4-[1-[(3-ethyl-5-methoxyphenyl)methyl]indol-3-yl]-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;(3R,4S)-N-cyclopropyl-4-(1H-inden-2-yl)-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide?

The canonical SMILES for (3R,4S)-N-cyclopropyl-4-dibenzofuran-4-yl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;(3R,4S)-N-cyclopropyl-4-[1-[(3-ethyl-5-methoxyphenyl)methyl]indol-3-yl]-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;(3R,4S)-N-cyclopropyl-4-(1H-inden-2-yl)-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide is CCc1cc(Cn2cc([C@H]3CCNC[C@@H]3C(=O)N(Cc3cn(CCCOC)c4ccccc34)C3CC3)c3ccccc32)cc(OC)c1.COCCCn1cc(CN(C(=O)[C@H]2CNCC[C@@H]2C2=Cc3ccccc3C2)C2CC2)c2ccccc21.COCCCn1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2cccc3c2oc2ccccc23)C2CC2)c2ccccc21.

What is the InChIKey of (3R,4S)-N-cyclopropyl-4-dibenzofuran-4-yl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;(3R,4S)-N-cyclopropyl-4-[1-[(3-ethyl-5-methoxyphenyl)methyl]indol-3-yl]-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;(3R,4S)-N-cyclopropyl-4-(1H-inden-2-yl)-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide?

The InChIKey is XXBNFIMPCVUWLB-QJKJWXAUSA-N. The full InChI is InChI=1S/C40H48N4O3.C34H37N3O3.C31H37N3O2/c1-4-28-20-29(22-32(21-28)47-3)24-43-27-37(35-11-6-8-13-39(35)43)34-16-17-41-23-36(34)40(45)44(31-14-15-31)26-30-25-42(18-9-19-46-2)38-12-7-5-10-33(30)38;1-39-19-7-18-36-21-23(25-8-2-4-12-31(25)36)22-37(24-14-15-24)34(38)30-20-35-17-16-26(30)28-10-6-11-29-27-9-3-5-13-32(27)40-33(28)29;1-36-16-6-15-33-20-25(28-9-4-5-10-30(28)33)21-34(26-11-12-26)31(35)29-19-32-14-13-27(29)24-17-22-7-2-3-8-23(22)18-24/h5-8,10-13,20-22,25,27,31,34,36,41H,4,9,14-19,23-24,26H2,1-3H3;2-6,8-13,21,24,26,30,35H,7,14-20,22H2,1H3;2-5,7-10,17,20,26-27,29,32H,6,11-16,18-19,21H2,1H3/t34-,36-;26-,30+;27-,29+/m011/s1.

What are the key properties of (3R,4S)-N-cyclopropyl-4-dibenzofuran-4-yl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;(3R,4S)-N-cyclopropyl-4-[1-[(3-ethyl-5-methoxyphenyl)methyl]indol-3-yl]-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;(3R,4S)-N-cyclopropyl-4-(1H-inden-2-yl)-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide?

(3R,4S)-N-cyclopropyl-4-dibenzofuran-4-yl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;(3R,4S)-N-cyclopropyl-4-[1-[(3-ethyl-5-methoxyphenyl)methyl]indol-3-yl]-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;(3R,4S)-N-cyclopropyl-4-(1H-inden-2-yl)-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide has a molecular weight of 1652.19 g/mol, XLogP of 18.63, 31 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4S)-N-cyclopropyl-4-dibenzofuran-4-yl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;(3R,4S)-N-cyclopropyl-4-[1-[(3-ethyl-5-methoxyphenyl)methyl]indol-3-yl]-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;(3R,4S)-N-cyclopropyl-4-(1H-inden-2-yl)-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 90809699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).