N-[(1R,2S)-2-methylcyclohexyl]-4-pyridin-2-ylpiperazine-1-carboxamide

C17H26N4O — CID 51642051

IUPACN-[(1R,2S)-2-methylcyclohexyl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H26N4O/c1-14-6-2-3-7-15(14)19-17(22)21-12-10-20(11-13-21)16-8-4-5-9-18-16/h4-5,8-9,14-15H,2-3,6-7,10-13H2,1H3,(H,19,22)/t14-,15+/m0/s1
InChIKeyAUOSRZZDLBOOEX-LSDHHAIUSA-N
MW302.42 g/mol
LogP2.49
Rot. Bonds2

About N-[(1R,2S)-2-methylcyclohexyl]-4-pyridin-2-ylpiperazine-1-carboxamide

N-[(1R,2S)-2-methylcyclohexyl]-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 51642051) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[(1R,2S)-2-methylcyclohexyl]-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-methylcyclohexyl]-4-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID51642051
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN-[(1R,2S)-2-methylcyclohexyl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H26N4O/c1-14-6-2-3-7-15(14)19-17(22)21-12-10-20(11-13-21)16-8-4-5-9-18-16/h4-5,8-9,14-15H,2-3,6-7,10-13H2,1H3,(H,19,22)/t14-,15+/m0/s1
InChIKeyAUOSRZZDLBOOEX-LSDHHAIUSA-N
XLogP2.49
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylcyclopentyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 56826840
N-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 53370981
4-(4-acetylphenyl)-N-(2-methylcyclohexyl)piperazine-1-carboxamide
CID 42928323
N-[(E)-2-cyclohexylethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108912309
N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 735809
N-(2-methylcycloheptyl)piperidine-1-carboxamide
CID 115665269
1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone
CID 122598259
(1-methylpiperidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854882
N-pentan-3-yl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 47151884
(2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 94661500
4-(2-anilino-2-oxoethyl)-N-(2-methylcyclohexyl)piperazine-1-carboxamide
CID 51330583
1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108508501

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-methylcyclohexyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[(1R,2S)-2-methylcyclohexyl]-4-pyridin-2-ylpiperazine-1-carboxamide (CID 51642051) is N-[(1R,2S)-2-methylcyclohexyl]-4-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-methylcyclohexyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-methylcyclohexyl]-4-pyridin-2-ylpiperazine-1-carboxamide is C[C@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[(1R,2S)-2-methylcyclohexyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is AUOSRZZDLBOOEX-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H26N4O/c1-14-6-2-3-7-15(14)19-17(22)21-12-10-20(11-13-21)16-8-4-5-9-18-16/h4-5,8-9,14-15H,2-3,6-7,10-13H2,1H3,(H,19,22)/t14-,15+/m0/s1.
What are the key properties of N-[(1R,2S)-2-methylcyclohexyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
N-[(1R,2S)-2-methylcyclohexyl]-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-methylcyclohexyl]-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 51642051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).