(3R)-N-[(1R,2R)-2-methylcyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

C17H26N4O — CID 7435438

IUPAC(3R)-N-[(1R,2R)-2-methylcyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C17H26N4O/c1-13-6-2-3-8-15(13)20-16(22)14-7-4-11-21(12-14)17-18-9-5-10-19-17/h5,9-10,13-15H,2-4,6-8,11-12H2,1H3,(H,20,22)/t13-,14-,15-/m1/s1
InChIKeyCMEWYRRJIUMKNR-RBSFLKMASA-N
MW302.42 g/mol
LogP2.39
Rot. Bonds3

About (3R)-N-[(1R,2R)-2-methylcyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

(3R)-N-[(1R,2R)-2-methylcyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 7435438) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is (3R)-N-[(1R,2R)-2-methylcyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1R,2R)-2-methylcyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID7435438
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name(3R)-N-[(1R,2R)-2-methylcyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C17H26N4O/c1-13-6-2-3-8-15(13)20-16(22)14-7-4-11-21(12-14)17-18-9-5-10-19-17/h5,9-10,13-15H,2-4,6-8,11-12H2,1H3,(H,20,22)/t13-,14-,15-/m1/s1
InChIKeyCMEWYRRJIUMKNR-RBSFLKMASA-N
XLogP2.39
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[(1R,2R)-2-methylcyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-N-[(1S,2S)-2-methylcyclohexyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 124765449
(3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452540
(3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 6557829
N-[2-(3-methylphenoxy)cyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 167754397
1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride
CID 45075103
(3R)-N-[(2S)-butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7435435
(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831
(3S)-N-(1-hydroxy-2-methylpropan-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 96557652
(3R)-1-pyrimidin-2-yl-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-3-carboxamide
CID 100851588
N-(2,2-dimethyloxan-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 71702861
(3S)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 124822252
N-(2,3-dimethylcyclohexyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 47024943

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R,2R)-2-methylcyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(1R,2R)-2-methylcyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 7435438) is (3R)-N-[(1R,2R)-2-methylcyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1R,2R)-2-methylcyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(1R,2R)-2-methylcyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(c2ncccn2)C1.
What is the InChIKey of (3R)-N-[(1R,2R)-2-methylcyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is CMEWYRRJIUMKNR-RBSFLKMASA-N. The full InChI is InChI=1S/C17H26N4O/c1-13-6-2-3-8-15(13)20-16(22)14-7-4-11-21(12-14)17-18-9-5-10-19-17/h5,9-10,13-15H,2-4,6-8,11-12H2,1H3,(H,20,22)/t13-,14-,15-/m1/s1.
What are the key properties of (3R)-N-[(1R,2R)-2-methylcyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
(3R)-N-[(1R,2R)-2-methylcyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1R,2R)-2-methylcyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 7435438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).