N-(4-aminocyclohexyl)-3,3-dimethylpiperidine-2-carboxamide

C14H27N3O — CID 114084152

IUPACN-(4-aminocyclohexyl)-3,3-dimethylpiperidine-2-carboxamide
SMILESCC1(C)CCCNC1C(=O)NC1CCC(N)CC1
InChIInChI=1S/C14H27N3O/c1-14(2)8-3-9-16-12(14)13(18)17-11-6-4-10(15)5-7-11/h10-12,16H,3-9,15H2,1-2H3,(H,17,18)
InChIKeyMAJXNHQHFKQXKG-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.15
Rot. Bonds2

About N-(4-aminocyclohexyl)-3,3-dimethylpiperidine-2-carboxamide

N-(4-aminocyclohexyl)-3,3-dimethylpiperidine-2-carboxamide (PubChem CID 114084152) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3,3-dimethylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3,3-dimethylpiperidine-2-carboxamide
PubChem CID114084152
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-(4-aminocyclohexyl)-3,3-dimethylpiperidine-2-carboxamide
SMILESCC1(C)CCCNC1C(=O)NC1CCC(N)CC1
InChIInChI=1S/C14H27N3O/c1-14(2)8-3-9-16-12(14)13(18)17-11-6-4-10(15)5-7-11/h10-12,16H,3-9,15H2,1-2H3,(H,17,18)
InChIKeyMAJXNHQHFKQXKG-UHFFFAOYSA-N
XLogP1.15
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-N-(2-methylcyclohexyl)piperidine-2-carboxamide
CID 114083995
N-(4-aminocyclohexyl)azepane-2-carboxamide
CID 64569941
N-(3-cyclopropylpropyl)-3,3-dimethylpiperidine-2-carboxamide
CID 114084316
N-cyclopentyl-3,3-dimethylazetidine-2-carboxamide;hydrochloride
CID 130978326
(2S)-3,3-dimethylpiperidine-2-carboxylic acid
CID 93492996
N-(4-aminocyclohexyl)-4-methylpiperidine-4-carboxamide
CID 63123013
N-(5-amino-5-oxopentyl)-3,3-dimethylpiperidine-2-carboxamide
CID 114162096
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3,3-dimethylpiperidine-2-carboxamide
CID 114084217
N-(4-aminocyclohexyl)-3-methylpyrrolidine-3-carboxamide
CID 63142128
N-[(1-methoxycyclobutyl)methyl]-3,3-dimethylpiperidine-2-carboxamide
CID 114119268
3,3-dimethyl-N-pyrrolidin-3-ylazetidine-2-carboxamide
CID 131114361
4-amino-N-cyclopropylcyclohexane-1-carboxamide;hydrochloride
CID 66868284

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3,3-dimethylpiperidine-2-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-3,3-dimethylpiperidine-2-carboxamide (CID 114084152) is N-(4-aminocyclohexyl)-3,3-dimethylpiperidine-2-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3,3-dimethylpiperidine-2-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3,3-dimethylpiperidine-2-carboxamide is CC1(C)CCCNC1C(=O)NC1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-3,3-dimethylpiperidine-2-carboxamide?
The InChIKey is MAJXNHQHFKQXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-14(2)8-3-9-16-12(14)13(18)17-11-6-4-10(15)5-7-11/h10-12,16H,3-9,15H2,1-2H3,(H,17,18).
What are the key properties of N-(4-aminocyclohexyl)-3,3-dimethylpiperidine-2-carboxamide?
N-(4-aminocyclohexyl)-3,3-dimethylpiperidine-2-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 1.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3,3-dimethylpiperidine-2-carboxamide is sourced from PubChem (CID 114084152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).