(3S)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

C18H28N4O — CID 124822252

IUPAC(3S)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESC[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)[C@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C18H28N4O/c1-13-5-3-7-16(14(13)2)21-18(23)15-6-4-10-22(12-15)17-11-19-8-9-20-17/h8-9,11,13-16H,3-7,10,12H2,1-2H3,(H,21,23)/t13-,14-,15+,16+/m1/s1
InChIKeySTLHQXKOWRWKGX-WCVJEAGWSA-N
MW316.45 g/mol
LogP2.63
Rot. Bonds3

About (3S)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

(3S)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 124822252) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is (3S)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID124822252
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name(3S)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESC[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)[C@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C18H28N4O/c1-13-5-3-7-16(14(13)2)21-18(23)15-6-4-10-22(12-15)17-11-19-8-9-20-17/h8-9,11,13-16H,3-7,10,12H2,1-2H3,(H,21,23)/t13-,14-,15+,16+/m1/s1
InChIKeySTLHQXKOWRWKGX-WCVJEAGWSA-N
XLogP2.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-1-pyrazin-2-ylpiperidine-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

Related Compounds

N-(2,3-dimethylcyclohexyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 47024943
(3R)-N-[(1S,2S)-2-tert-butylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37263870
N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950778
(3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045960
(3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37037897
(3R)-N-[(1R,2R)-2-methylcyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7435438
N-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46597405
ethyl N-[[(3R)-1-pyrazin-2-ylpiperidine-3-carbonyl]amino]carbamate
CID 37002369
N-prop-2-enyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 23607875
(3S)-N-[2-(diethylamino)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045944
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 36990549
(3S)-N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37070977

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 124822252) is (3S)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is C[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)[C@H]1CCCN(c2cnccn2)C1.
What is the InChIKey of (3S)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is STLHQXKOWRWKGX-WCVJEAGWSA-N. The full InChI is InChI=1S/C18H28N4O/c1-13-5-3-7-16(14(13)2)21-18(23)15-6-4-10-22(12-15)17-11-19-8-9-20-17/h8-9,11,13-16H,3-7,10,12H2,1-2H3,(H,21,23)/t13-,14-,15+,16+/m1/s1.
What are the key properties of (3S)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
(3S)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 124822252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).