1-[(1S,3R)-3-methylcyclohexyl]piperidine-4-carboxamide

C13H24N2O — CID 26458332

IUPAC1-[(1S,3R)-3-methylcyclohexyl]piperidine-4-carboxamide
SMILESC[C@@H]1CCC[C@H](N2CCC(C(N)=O)CC2)C1
InChIInChI=1S/C13H24N2O/c1-10-3-2-4-12(9-10)15-7-5-11(6-8-15)13(14)16/h10-12H,2-9H2,1H3,(H2,14,16)/t10-,12+/m1/s1
InChIKeyYBANFNLAJNEODD-PWSUYJOCSA-N
MW224.35 g/mol
LogP1.76
Rot. Bonds2

About 1-[(1S,3R)-3-methylcyclohexyl]piperidine-4-carboxamide

1-[(1S,3R)-3-methylcyclohexyl]piperidine-4-carboxamide (PubChem CID 26458332) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-[(1S,3R)-3-methylcyclohexyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1S,3R)-3-methylcyclohexyl]piperidine-4-carboxamide
PubChem CID26458332
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-[(1S,3R)-3-methylcyclohexyl]piperidine-4-carboxamide
SMILESC[C@@H]1CCC[C@H](N2CCC(C(N)=O)CC2)C1
InChIInChI=1S/C13H24N2O/c1-10-3-2-4-12(9-10)15-7-5-11(6-8-15)13(14)16/h10-12H,2-9H2,1H3,(H2,14,16)/t10-,12+/m1/s1
InChIKeyYBANFNLAJNEODD-PWSUYJOCSA-N
XLogP1.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-(3-methylcyclohexyl)pyrrolidine
CID 144810931
(3R)-1-[(1R,3R)-3-methylcyclopentyl]piperidine-3-carboxamide
CID 30979824
3-(4-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79695493
1-(3,7-dimethylcyclooctyl)piperidine
CID 167208270
1-(1-methylazetidin-3-yl)piperidine-4-carboxamide
CID 166069617
1-methyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 7047259
(3S)-1-(3-methylcyclohexyl)pyrrolidin-3-amine
CID 115302430
ethane;7-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 142534546
(2R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxamide
CID 95240709
4-[(1R,3S)-3-methylcyclohexyl]morpholine
CID 31196445
1-[1-(3-methylcyclopentyl)pyrrolidin-3-yl]ethanone
CID 144857391
4-[(1S,3S)-3-methylcyclohexyl]piperazine-1-carbaldehyde
CID 758116

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,3R)-3-methylcyclohexyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(1S,3R)-3-methylcyclohexyl]piperidine-4-carboxamide (CID 26458332) is 1-[(1S,3R)-3-methylcyclohexyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1S,3R)-3-methylcyclohexyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(1S,3R)-3-methylcyclohexyl]piperidine-4-carboxamide is C[C@@H]1CCC[C@H](N2CCC(C(N)=O)CC2)C1.
What is the InChIKey of 1-[(1S,3R)-3-methylcyclohexyl]piperidine-4-carboxamide?
The InChIKey is YBANFNLAJNEODD-PWSUYJOCSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10-3-2-4-12(9-10)15-7-5-11(6-8-15)13(14)16/h10-12H,2-9H2,1H3,(H2,14,16)/t10-,12+/m1/s1.
What are the key properties of 1-[(1S,3R)-3-methylcyclohexyl]piperidine-4-carboxamide?
1-[(1S,3R)-3-methylcyclohexyl]piperidine-4-carboxamide has a molecular weight of 224.35 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,3R)-3-methylcyclohexyl]piperidine-4-carboxamide is sourced from PubChem (CID 26458332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).