3-(aminomethyl)-N-cyclohexyl-4-methylpiperidine-1-carboxamide

C14H27N3O — CID 114960745

IUPAC3-(aminomethyl)-N-cyclohexyl-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NC2CCCCC2)CC1CN
InChIInChI=1S/C14H27N3O/c1-11-7-8-17(10-12(11)9-15)14(18)16-13-5-3-2-4-6-13/h11-13H,2-10,15H2,1H3,(H,16,18)
InChIKeyOCEVPKKVMPDCDN-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.95
Rot. Bonds2

About 3-(aminomethyl)-N-cyclohexyl-4-methylpiperidine-1-carboxamide

3-(aminomethyl)-N-cyclohexyl-4-methylpiperidine-1-carboxamide (PubChem CID 114960745) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-(aminomethyl)-N-cyclohexyl-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-cyclohexyl-4-methylpiperidine-1-carboxamide
PubChem CID114960745
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-(aminomethyl)-N-cyclohexyl-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NC2CCCCC2)CC1CN
InChIInChI=1S/C14H27N3O/c1-11-7-8-17(10-12(11)9-15)14(18)16-13-5-3-2-4-6-13/h11-13H,2-10,15H2,1H3,(H,16,18)
InChIKeyOCEVPKKVMPDCDN-UHFFFAOYSA-N
XLogP1.95
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-cyclohexylpyrrolidine-1-carboxamide
CID 62061626
N-cyclopentyl-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896284
(3R)-N-cyclohexyl-3-methylpyrrolidine-1-carboxamide
CID 66581198
(3S,5S)-N-cyclohexyl-3,5-dimethylpiperidine-1-carboxamide
CID 1332142
N-cyclopropyl-4-hydroxy-3-methylpiperidine-1-carboxamide
CID 114501609
(3R)-3-amino-N-cyclopentylpyrrolidine-1-carboxamide
CID 115301653
3-N-(1-amino-2-methylpropan-2-yl)-1-N-cyclopentylpiperidine-1,3-dicarboxamide
CID 119521732
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide
CID 119483653
3-(aminomethyl)-N-cyclobutylpiperidine-1-carboxamide
CID 82508340
4-(2-amino-2-methylpropyl)-N-cyclohexylpiperazine-1-carboxamide
CID 120847763
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 114960513
N-cyclopentyl-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 115610399

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-cyclohexyl-4-methylpiperidine-1-carboxamide?
The IUPAC name of 3-(aminomethyl)-N-cyclohexyl-4-methylpiperidine-1-carboxamide (CID 114960745) is 3-(aminomethyl)-N-cyclohexyl-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-N-cyclohexyl-4-methylpiperidine-1-carboxamide?
The canonical SMILES for 3-(aminomethyl)-N-cyclohexyl-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)NC2CCCCC2)CC1CN.
What is the InChIKey of 3-(aminomethyl)-N-cyclohexyl-4-methylpiperidine-1-carboxamide?
The InChIKey is OCEVPKKVMPDCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-11-7-8-17(10-12(11)9-15)14(18)16-13-5-3-2-4-6-13/h11-13H,2-10,15H2,1H3,(H,16,18).
What are the key properties of 3-(aminomethyl)-N-cyclohexyl-4-methylpiperidine-1-carboxamide?
3-(aminomethyl)-N-cyclohexyl-4-methylpiperidine-1-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-cyclohexyl-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 114960745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).