N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylpiperidine-2-carboxamide

C13H24N2O2 — CID 107221723

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-3-methylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C13H24N2O2/c1-9-5-4-8-14-12(9)13(17)15-10-6-2-3-7-11(10)16/h9-12,14,16H,2-8H2,1H3,(H,15,17)/t9?,10-,11-,12?/m0/s1
InChIKeyBIGCPIMWVLDCJW-YECOWLKZSA-N
MW240.35 g/mol
LogP0.79
Rot. Bonds2

About N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylpiperidine-2-carboxamide

N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylpiperidine-2-carboxamide (PubChem CID 107221723) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-3-methylpiperidine-2-carboxamide
PubChem CID107221723
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-3-methylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C13H24N2O2/c1-9-5-4-8-14-12(9)13(17)15-10-6-2-3-7-11(10)16/h9-12,14,16H,2-8H2,1H3,(H,15,17)/t9?,10-,11-,12?/m0/s1
InChIKeyBIGCPIMWVLDCJW-YECOWLKZSA-N
XLogP0.79
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylcyclohexyl)-3-methylpiperidine-2-carboxamide
CID 55060363
N-(3-hydroxycyclohexyl)-3-methylpiperidine-2-carboxamide
CID 107067254
N-(2-hydroxycyclohexyl)pyrrolidine-2-carboxamide;hydrochloride
CID 110911866
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylpiperidine-2-carboxamide
CID 62340806
3-methyl-N-(oxetan-3-yl)piperidine-2-carboxamide
CID 107068369
3-methyl-N-(oxan-4-yl)piperidine-2-carboxamide
CID 62339292
N-[(1R,2R)-2-hydroxycyclohexyl]piperidine-3-carboxamide
CID 107222065
N-(2-hydroxycyclohexyl)-4-methylpyrrolidine-3-carboxamide
CID 63715176
N-(3-hydroxycyclobutyl)-3-methylpyrrolidine-2-carboxamide
CID 102779646
N-(2-methylcyclopentyl)pyrrolidine-2-carboxamide
CID 63281892
N-(1,1-dioxothiolan-3-yl)-3-methylpiperidine-2-carboxamide
CID 55059944
1-(3-methylpiperidin-2-yl)ethanone
CID 54775356

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylpiperidine-2-carboxamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylpiperidine-2-carboxamide (CID 107221723) is N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylpiperidine-2-carboxamide is CC1CCCNC1C(=O)N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylpiperidine-2-carboxamide?
The InChIKey is BIGCPIMWVLDCJW-YECOWLKZSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9-5-4-8-14-12(9)13(17)15-10-6-2-3-7-11(10)16/h9-12,14,16H,2-8H2,1H3,(H,15,17)/t9?,10-,11-,12?/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylpiperidine-2-carboxamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylpiperidine-2-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 0.79, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylpiperidine-2-carboxamide is sourced from PubChem (CID 107221723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).