(3R,4S)-N-[(1-benzyl-4-methylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide

C32H36N4O2 — CID 58170874

IUPAC(3R,4S)-N-[(1-benzyl-4-methylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccc2c1c(CN(C(=O)[C@H]1CNCC[C@@H]1c1ccn(C)c(=O)c1)C1CC1)cn2Cc1ccccc1
InChIInChI=1S/C32H36N4O2/c1-22-7-6-10-29-31(22)25(20-35(29)19-23-8-4-3-5-9-23)21-36(26-11-12-26)32(38)28-18-33-15-13-27(28)24-14-16-34(2)30(37)17-24/h3-10,14,16-17,20,26-28,33H,11-13,15,18-19,21H2,1-2H3/t27-,28+/m1/s1
InChIKeyQFEBZHBZYUNNCV-IZLXSDGUSA-N
MW508.67 g/mol
LogP4.58
Rot. Bonds7

About (3R,4S)-N-[(1-benzyl-4-methylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide

(3R,4S)-N-[(1-benzyl-4-methylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide (PubChem CID 58170874) has the molecular formula C32H36N4O2 and a molecular weight of 508.67 g/mol. Its IUPAC name is (3R,4S)-N-[(1-benzyl-4-methylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-N-[(1-benzyl-4-methylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
PubChem CID58170874
Molecular FormulaC32H36N4O2
Molecular Weight508.67 g/mol
Exact Mass508.28
IUPAC Name(3R,4S)-N-[(1-benzyl-4-methylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccc2c1c(CN(C(=O)[C@H]1CNCC[C@@H]1c1ccn(C)c(=O)c1)C1CC1)cn2Cc1ccccc1
InChIInChI=1S/C32H36N4O2/c1-22-7-6-10-29-31(22)25(20-35(29)19-23-8-4-3-5-9-23)21-36(26-11-12-26)32(38)28-18-33-15-13-27(28)24-14-16-34(2)30(37)17-24/h3-10,14,16-17,20,26-28,33H,11-13,15,18-19,21H2,1-2H3/t27-,28+/m1/s1
InChIKeyQFEBZHBZYUNNCV-IZLXSDGUSA-N
XLogP4.58
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.67
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,4S)-N-[(1-benzyl-4-methylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-[(1-benzyl-4-methylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of (3R,4S)-N-[(1-benzyl-4-methylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide (CID 58170874) is (3R,4S)-N-[(1-benzyl-4-methylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,4S)-N-[(1-benzyl-4-methylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,4S)-N-[(1-benzyl-4-methylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide is Cc1cccc2c1c(CN(C(=O)[C@H]1CNCC[C@@H]1c1ccn(C)c(=O)c1)C1CC1)cn2Cc1ccccc1.
What is the InChIKey of (3R,4S)-N-[(1-benzyl-4-methylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide?
The InChIKey is QFEBZHBZYUNNCV-IZLXSDGUSA-N. The full InChI is InChI=1S/C32H36N4O2/c1-22-7-6-10-29-31(22)25(20-35(29)19-23-8-4-3-5-9-23)21-36(26-11-12-26)32(38)28-18-33-15-13-27(28)24-14-16-34(2)30(37)17-24/h3-10,14,16-17,20,26-28,33H,11-13,15,18-19,21H2,1-2H3/t27-,28+/m1/s1.
What are the key properties of (3R,4S)-N-[(1-benzyl-4-methylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide?
(3R,4S)-N-[(1-benzyl-4-methylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide has a molecular weight of 508.67 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-[(1-benzyl-4-methylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 58170874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).