(3S)-N-[(1S,2S)-2-methylcyclohexyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide

C18H28N4O — CID 124765449

IUPAC(3S)-N-[(1S,2S)-2-methylcyclohexyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1ccnc(N2CCC[C@H](C(=O)N[C@H]3CCCC[C@@H]3C)C2)n1
InChIInChI=1S/C18H28N4O/c1-13-6-3-4-8-16(13)21-17(23)15-7-5-11-22(12-15)18-19-10-9-14(2)20-18/h9-10,13,15-16H,3-8,11-12H2,1-2H3,(H,21,23)/t13-,15-,16-/m0/s1
InChIKeyFFLUUGKYLSZBHD-BPUTZDHNSA-N
MW316.45 g/mol
LogP2.70
Rot. Bonds3

About (3S)-N-[(1S,2S)-2-methylcyclohexyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide

(3S)-N-[(1S,2S)-2-methylcyclohexyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 124765449) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is (3S)-N-[(1S,2S)-2-methylcyclohexyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1S,2S)-2-methylcyclohexyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID124765449
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name(3S)-N-[(1S,2S)-2-methylcyclohexyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1ccnc(N2CCC[C@H](C(=O)N[C@H]3CCCC[C@@H]3C)C2)n1
InChIInChI=1S/C18H28N4O/c1-13-6-3-4-8-16(13)21-17(23)15-7-5-11-22(12-15)18-19-10-9-14(2)20-18/h9-10,13,15-16H,3-8,11-12H2,1-2H3,(H,21,23)/t13-,15-,16-/m0/s1
InChIKeyFFLUUGKYLSZBHD-BPUTZDHNSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[(1S,2S)-2-methylcyclohexyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-[(1R,2R)-2-methylcyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7435438
(3R)-N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452556
N-(4-acetamidophenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223397
N-(4-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223383
1-(4-methylpyrimidin-2-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 3223401
(3S)-N-(4-tert-butylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452724
N-(4-tert-butylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223412
N-(2,3-dimethylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223387
(3S)-1-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 1452732
(3S)-N-(3-chloro-4-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452692
(3S)-N-(2-ethylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452595
N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 53035331

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1S,2S)-2-methylcyclohexyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(1S,2S)-2-methylcyclohexyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide (CID 124765449) is (3S)-N-[(1S,2S)-2-methylcyclohexyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(1S,2S)-2-methylcyclohexyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(1S,2S)-2-methylcyclohexyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide is Cc1ccnc(N2CCC[C@H](C(=O)N[C@H]3CCCC[C@@H]3C)C2)n1.
What is the InChIKey of (3S)-N-[(1S,2S)-2-methylcyclohexyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is FFLUUGKYLSZBHD-BPUTZDHNSA-N. The full InChI is InChI=1S/C18H28N4O/c1-13-6-3-4-8-16(13)21-17(23)15-7-5-11-22(12-15)18-19-10-9-14(2)20-18/h9-10,13,15-16H,3-8,11-12H2,1-2H3,(H,21,23)/t13-,15-,16-/m0/s1.
What are the key properties of (3S)-N-[(1S,2S)-2-methylcyclohexyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
(3S)-N-[(1S,2S)-2-methylcyclohexyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1S,2S)-2-methylcyclohexyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 124765449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).