(3R,4S)-N-cyclopropyl-4-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;molecular hydrogen

C39H48N4O4 — CID 143335315

About (3R,4S)-N-cyclopropyl-4-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;molecular hydrogen

(3R,4S)-N-cyclopropyl-4-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;molecular hydrogen (PubChem CID 143335315) has the molecular formula C39H48N4O4 and a molecular weight of 636.84 g/mol. Its IUPAC name is (3R,4S)-N-cyclopropyl-4-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: (3R,4S)-N-cyclopropyl-4-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;molecular hydrogen
• PubChem CID: 143335315
• Molecular Formula: C39H48N4O4
• Molecular Weight: 636.84 g/mol
• Exact Mass: 636.37
• IUPAC Name: (3R,4S)-N-cyclopropyl-4-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;molecular hydrogen
• SMILES: COCCCn1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2cn(Cc3cc(OC)cc(OC)c3)c3ccccc23)C2CC2)c2ccccc21.[H][H]
• InChI: InChI=1S/C39H46N4O4.H2/c1-45-18-8-17-41-24-28(32-9-4-6-11-37(32)41)25-43(29-13-14-29)39(44)35-22-40-16-15-33(35)36-26-42(38-12-7-5-10-34(36)38)23-27-19-30(46-2)21-31(20-27)47-3;/h4-7,9-12,19-21,24,26,29,33,35,40H,8,13-18,22-23,25H2,1-3H3;1H/t33-,35-;/m0./s1
• InChIKey: NOTACIKANMYHTC-FXWZIABCSA-N
• XLogP: 6.83
• TPSA: 69.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	636.84
LogP ≤ 5	6.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;molecular hydrogen?

The IUPAC name of (3R,4S)-N-cyclopropyl-4-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;molecular hydrogen (CID 143335315) is (3R,4S)-N-cyclopropyl-4-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;molecular hydrogen.

What is the SMILES notation for (3R,4S)-N-cyclopropyl-4-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;molecular hydrogen?

The canonical SMILES for (3R,4S)-N-cyclopropyl-4-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;molecular hydrogen is COCCCn1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2cn(Cc3cc(OC)cc(OC)c3)c3ccccc23)C2CC2)c2ccccc21.[H][H].

What is the InChIKey of (3R,4S)-N-cyclopropyl-4-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;molecular hydrogen?

The InChIKey is NOTACIKANMYHTC-FXWZIABCSA-N. The full InChI is InChI=1S/C39H46N4O4.H2/c1-45-18-8-17-41-24-28(32-9-4-6-11-37(32)41)25-43(29-13-14-29)39(44)35-22-40-16-15-33(35)36-26-42(38-12-7-5-10-34(36)38)23-27-19-30(46-2)21-31(20-27)47-3;/h4-7,9-12,19-21,24,26,29,33,35,40H,8,13-18,22-23,25H2,1-3H3;1H/t33-,35-;/m0./s1.

What are the key properties of (3R,4S)-N-cyclopropyl-4-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;molecular hydrogen?

(3R,4S)-N-cyclopropyl-4-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;molecular hydrogen has a molecular weight of 636.84 g/mol, XLogP of 6.83, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4S)-N-cyclopropyl-4-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 143335315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).