(3S,4R)-N-cyclopropyl-N-(isoquinolin-1-ylmethyl)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide

C25H28N4O2 — CID 67062142

IUPAC(3S,4R)-N-cyclopropyl-N-(isoquinolin-1-ylmethyl)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
SMILESCn1ccc([C@@H]2CCNC[C@H]2C(=O)N(Cc2nccc3ccccc23)C2CC2)cc1=O
InChIInChI=1S/C25H28N4O2/c1-28-13-10-18(14-24(28)30)20-9-11-26-15-22(20)25(31)29(19-6-7-19)16-23-21-5-3-2-4-17(21)8-12-27-23/h2-5,8,10,12-14,19-20,22,26H,6-7,9,11,15-16H2,1H3/t20-,22+/m0/s1
InChIKeyYJOUIICADFMPCL-RBBKRZOGSA-N
MW416.53 g/mol
LogP2.82
Rot. Bonds5

About (3S,4R)-N-cyclopropyl-N-(isoquinolin-1-ylmethyl)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide

(3S,4R)-N-cyclopropyl-N-(isoquinolin-1-ylmethyl)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide (PubChem CID 67062142) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is (3S,4R)-N-cyclopropyl-N-(isoquinolin-1-ylmethyl)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4R)-N-cyclopropyl-N-(isoquinolin-1-ylmethyl)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
PubChem CID67062142
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name(3S,4R)-N-cyclopropyl-N-(isoquinolin-1-ylmethyl)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
SMILESCn1ccc([C@@H]2CCNC[C@H]2C(=O)N(Cc2nccc3ccccc23)C2CC2)cc1=O
InChIInChI=1S/C25H28N4O2/c1-28-13-10-18(14-24(28)30)20-9-11-26-15-22(20)25(31)29(19-6-7-19)16-23-21-5-3-2-4-17(21)8-12-27-23/h2-5,8,10,12-14,19-20,22,26H,6-7,9,11,15-16H2,1H3/t20-,22+/m0/s1
InChIKeyYJOUIICADFMPCL-RBBKRZOGSA-N
XLogP2.82
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,4R)-N-cyclopropyl-N-(isoquinolin-1-ylmethyl)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3R)-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)-N-(naphthalen-2-ylmethyl)piperidine-3-carboxamide
CID 58170916
(3R,4S)-N-[(1-benzylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 58170861
N-[(1-butylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 67061950
(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
(4S)-N-[[2-chloro-5-(2-methoxyethoxy)phenyl]methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 147117031
(3S,4R)-N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 67062218
(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-[[3-(2-cyclopropyloxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 66896625
(3R)-N-cyclopropyl-N-[[3-(2-cyclopropyloxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 58170937
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

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N-cyclopropyl-N-(isoquinolin-1-ylmethyl)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of (3S,4R)-N-cyclopropyl-N-(isoquinolin-1-ylmethyl)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide (CID 67062142) is (3S,4R)-N-cyclopropyl-N-(isoquinolin-1-ylmethyl)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S,4R)-N-cyclopropyl-N-(isoquinolin-1-ylmethyl)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for (3S,4R)-N-cyclopropyl-N-(isoquinolin-1-ylmethyl)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide is Cn1ccc([C@@H]2CCNC[C@H]2C(=O)N(Cc2nccc3ccccc23)C2CC2)cc1=O.
What is the InChIKey of (3S,4R)-N-cyclopropyl-N-(isoquinolin-1-ylmethyl)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide?
The InChIKey is YJOUIICADFMPCL-RBBKRZOGSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-28-13-10-18(14-24(28)30)20-9-11-26-15-22(20)25(31)29(19-6-7-19)16-23-21-5-3-2-4-17(21)8-12-27-23/h2-5,8,10,12-14,19-20,22,26H,6-7,9,11,15-16H2,1H3/t20-,22+/m0/s1.
What are the key properties of (3S,4R)-N-cyclopropyl-N-(isoquinolin-1-ylmethyl)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide?
(3S,4R)-N-cyclopropyl-N-(isoquinolin-1-ylmethyl)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-N-cyclopropyl-N-(isoquinolin-1-ylmethyl)-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 67062142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).