3-amino-2-methyl-N-(1-piperidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide

C16H31N3O — CID 62783102

IUPAC3-amino-2-methyl-N-(1-piperidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide
SMILESCC(CN1CCCCC1)NC(=O)C1CCCC(N)C1C
InChIInChI=1S/C16H31N3O/c1-12(11-19-9-4-3-5-10-19)18-16(20)14-7-6-8-15(17)13(14)2/h12-15H,3-11,17H2,1-2H3,(H,18,20)
InChIKeyXDBQWENPSDNBIY-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.74
Rot. Bonds4

About 3-amino-2-methyl-N-(1-piperidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide

3-amino-2-methyl-N-(1-piperidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide (PubChem CID 62783102) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(1-piperidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-(1-piperidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide
PubChem CID62783102
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name3-amino-2-methyl-N-(1-piperidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide
SMILESCC(CN1CCCCC1)NC(=O)C1CCCC(N)C1C
InChIInChI=1S/C16H31N3O/c1-12(11-19-9-4-3-5-10-19)18-16(20)14-7-6-8-15(17)13(14)2/h12-15H,3-11,17H2,1-2H3,(H,18,20)
InChIKeyXDBQWENPSDNBIY-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-2-methyl-N-(1-piperidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-piperidin-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63782980
6-(1-piperidin-1-ylpropan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 60940827
3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxamide
CID 102779216
3-amino-N-(1-methoxy-3-methylbutan-2-yl)-2-methylcyclohexane-1-carboxamide
CID 65053094
3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylcyclohexane-1-carboxamide
CID 62781908
3-[(2-aminocyclopentanecarbonyl)amino]butanoic acid
CID 64824606
4-methyl-N-(1-piperidin-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 115583839
1-(cyclopropanecarbonyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carboxamide
CID 171675755
3-(2-aminoethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 62808028
(2S,5R)-5-(aminomethyl)-N-(1-piperidin-1-ylpropan-2-yl)oxolane-2-carboxamide
CID 120798240
1-cyclopropyl-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 115579826
5-amino-2,4-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 102706702

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(1-piperidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-2-methyl-N-(1-piperidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide (CID 62783102) is 3-amino-2-methyl-N-(1-piperidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-2-methyl-N-(1-piperidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-2-methyl-N-(1-piperidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide is CC(CN1CCCCC1)NC(=O)C1CCCC(N)C1C.
What is the InChIKey of 3-amino-2-methyl-N-(1-piperidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide?
The InChIKey is XDBQWENPSDNBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-12(11-19-9-4-3-5-10-19)18-16(20)14-7-6-8-15(17)13(14)2/h12-15H,3-11,17H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-2-methyl-N-(1-piperidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide?
3-amino-2-methyl-N-(1-piperidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(1-piperidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 62783102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).