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

C31H34N4O2 — CID 58170861

IUPAC(3R,4S)-N-[(1-benzylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
SMILESCn1ccc([C@H]2CCNC[C@@H]2C(=O)N(Cc2cn(Cc3ccccc3)c3ccccc23)C2CC2)cc1=O
InChIInChI=1S/C31H34N4O2/c1-33-16-14-23(17-30(33)36)26-13-15-32-18-28(26)31(37)35(25-11-12-25)21-24-20-34(19-22-7-3-2-4-8-22)29-10-6-5-9-27(24)29/h2-10,14,16-17,20,25-26,28,32H,11-13,15,18-19,21H2,1H3/t26-,28+/m1/s1
InChIKeyPNPWFABXKXFDSE-IAPPQJPRSA-N
MW494.64 g/mol
LogP4.27
Rot. Bonds7

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

(3R,4S)-N-[(1-benzylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide (PubChem CID 58170861) has the molecular formula C31H34N4O2 and a molecular weight of 494.64 g/mol. Its IUPAC name is (3R,4S)-N-[(1-benzylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-N-[(1-benzylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
PubChem CID58170861
Molecular FormulaC31H34N4O2
Molecular Weight494.64 g/mol
Exact Mass494.27
IUPAC Name(3R,4S)-N-[(1-benzylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
SMILESCn1ccc([C@H]2CCNC[C@@H]2C(=O)N(Cc2cn(Cc3ccccc3)c3ccccc23)C2CC2)cc1=O
InChIInChI=1S/C31H34N4O2/c1-33-16-14-23(17-30(33)36)26-13-15-32-18-28(26)31(37)35(25-11-12-25)21-24-20-34(19-22-7-3-2-4-8-22)29-10-6-5-9-27(24)29/h2-10,14,16-17,20,25-26,28,32H,11-13,15,18-19,21H2,1H3/t26-,28+/m1/s1
InChIKeyPNPWFABXKXFDSE-IAPPQJPRSA-N
XLogP4.27
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

N-[(1-butylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 67061950
(3R,4S)-N-[(1-benzyl-4-methylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 58170874
(3S,4R)-N-cyclopropyl-N-[[1-(2-methoxyethyl)indol-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 67061942
(3R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 58170906
(4S)-N-[[1-(2-acetamidoethyl)indol-3-yl]methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 70953089
1-cyclopropyl-3-[(3S,4S)-4-(1-methyl-2-oxo-4-pyridinyl)piperidin-3-yl]-1-[[1-(pyridin-4-ylmethyl)indol-3-yl]methyl]urea
CID 150193024
N-cyclopropyl-N-[[4-fluoro-1-(pyridin-3-ylmethyl)indol-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 67061971
(3R)-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)-N-(naphthalen-2-ylmethyl)piperidine-3-carboxamide
CID 58170916
(3S,4R)-N-cyclopropyl-N-(isoquinolin-1-ylmethyl)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 67062142
ethyl 2-[3-[[cyclopropyl-[(3R,4S)-4-(3-phenylphenyl)piperidine-3-carbonyl]amino]methyl]indol-1-yl]acetate
CID 11555610
(4S)-N-[[2-chloro-5-(2-methoxyethoxy)phenyl]methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 147117031
N-cyclopropyl-N-[[2,3-dichloro-5-(2-cyanoethyl)phenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 67062031

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-[(1-benzylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of (3R,4S)-N-[(1-benzylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide (CID 58170861) is (3R,4S)-N-[(1-benzylindol-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-benzylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,4S)-N-[(1-benzylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide is Cn1ccc([C@H]2CCNC[C@@H]2C(=O)N(Cc2cn(Cc3ccccc3)c3ccccc23)C2CC2)cc1=O.
What is the InChIKey of (3R,4S)-N-[(1-benzylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide?
The InChIKey is PNPWFABXKXFDSE-IAPPQJPRSA-N. The full InChI is InChI=1S/C31H34N4O2/c1-33-16-14-23(17-30(33)36)26-13-15-32-18-28(26)31(37)35(25-11-12-25)21-24-20-34(19-22-7-3-2-4-8-22)29-10-6-5-9-27(24)29/h2-10,14,16-17,20,25-26,28,32H,11-13,15,18-19,21H2,1H3/t26-,28+/m1/s1.
What are the key properties of (3R,4S)-N-[(1-benzylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide?
(3R,4S)-N-[(1-benzylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide has a molecular weight of 494.64 g/mol, XLogP of 4.27, 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-benzylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 58170861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).