N-[(1S,2S)-2-chlorocyclohexyl]piperidine-1-carboxamide

C12H21ClN2O — CID 40530963

IUPACN-[(1S,2S)-2-chlorocyclohexyl]piperidine-1-carboxamide
SMILESO=C(N[C@H]1CCCC[C@@H]1Cl)N1CCCCC1
InChIInChI=1S/C12H21ClN2O/c13-10-6-2-3-7-11(10)14-12(16)15-8-4-1-5-9-15/h10-11H,1-9H2,(H,14,16)/t10-,11-/m0/s1
InChIKeyYFONBSXDRJXHMY-QWRGUYRKSA-N
MW244.77 g/mol
LogP2.73
Rot. Bonds1

About N-[(1S,2S)-2-chlorocyclohexyl]piperidine-1-carboxamide

N-[(1S,2S)-2-chlorocyclohexyl]piperidine-1-carboxamide (PubChem CID 40530963) has the molecular formula C12H21ClN2O and a molecular weight of 244.77 g/mol. Its IUPAC name is N-[(1S,2S)-2-chlorocyclohexyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-chlorocyclohexyl]piperidine-1-carboxamide
PubChem CID40530963
Molecular FormulaC12H21ClN2O
Molecular Weight244.77 g/mol
Exact Mass244.13
IUPAC NameN-[(1S,2S)-2-chlorocyclohexyl]piperidine-1-carboxamide
SMILESO=C(N[C@H]1CCCC[C@@H]1Cl)N1CCCCC1
InChIInChI=1S/C12H21ClN2O/c13-10-6-2-3-7-11(10)14-12(16)15-8-4-1-5-9-15/h10-11H,1-9H2,(H,14,16)/t10-,11-/m0/s1
InChIKeyYFONBSXDRJXHMY-QWRGUYRKSA-N
XLogP2.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.77
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylcycloheptyl)piperidine-1-carboxamide
CID 115665269
2-(azepane-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 64816878
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
N-(2-carbamothioylcyclopentyl)piperidine-1-carboxamide
CID 79154927
cis-(1R,2S)-2-(azetidine-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 164662283
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]piperidine-1-carboxamide
CID 79155291
N-[2-(aminomethyl)cyclopentyl]pyrrolidine-1-carboxamide
CID 79162307
(3S)-1-[(2-methylcycloheptyl)carbamoyl]piperidine-3-carboxylic acid
CID 81123969
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]pyrrolidine-1-carboxamide
CID 79161257
N-(2-chlorocyclohexyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 114301118
N-(2,2-dimethylcyclopropyl)piperidine-1-carboxamide
CID 115590465
N-[4-(methylamino)cyclohexyl]azepane-1-carboxamide
CID 79152452

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-chlorocyclohexyl]piperidine-1-carboxamide?
The IUPAC name of N-[(1S,2S)-2-chlorocyclohexyl]piperidine-1-carboxamide (CID 40530963) is N-[(1S,2S)-2-chlorocyclohexyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-chlorocyclohexyl]piperidine-1-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-chlorocyclohexyl]piperidine-1-carboxamide is O=C(N[C@H]1CCCC[C@@H]1Cl)N1CCCCC1.
What is the InChIKey of N-[(1S,2S)-2-chlorocyclohexyl]piperidine-1-carboxamide?
The InChIKey is YFONBSXDRJXHMY-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H21ClN2O/c13-10-6-2-3-7-11(10)14-12(16)15-8-4-1-5-9-15/h10-11H,1-9H2,(H,14,16)/t10-,11-/m0/s1.
What are the key properties of N-[(1S,2S)-2-chlorocyclohexyl]piperidine-1-carboxamide?
N-[(1S,2S)-2-chlorocyclohexyl]piperidine-1-carboxamide has a molecular weight of 244.77 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-chlorocyclohexyl]piperidine-1-carboxamide is sourced from PubChem (CID 40530963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).