1-(aminomethyl)-N-(1-cyclopropylpiperidin-4-yl)-4-methylcyclohexane-1-carboxamide

C17H31N3O — CID 115441634

IUPAC1-(aminomethyl)-N-(1-cyclopropylpiperidin-4-yl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)NC2CCN(C3CC3)CC2)CC1
InChIInChI=1S/C17H31N3O/c1-13-4-8-17(12-18,9-5-13)16(21)19-14-6-10-20(11-7-14)15-2-3-15/h13-15H,2-12,18H2,1H3,(H,19,21)
InChIKeyHSLDXCAQMWOLKI-UHFFFAOYSA-N
MW293.45 g/mol
LogP1.88
Rot. Bonds4

About 1-(aminomethyl)-N-(1-cyclopropylpiperidin-4-yl)-4-methylcyclohexane-1-carboxamide

1-(aminomethyl)-N-(1-cyclopropylpiperidin-4-yl)-4-methylcyclohexane-1-carboxamide (PubChem CID 115441634) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(1-cyclopropylpiperidin-4-yl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(1-cyclopropylpiperidin-4-yl)-4-methylcyclohexane-1-carboxamide
PubChem CID115441634
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name1-(aminomethyl)-N-(1-cyclopropylpiperidin-4-yl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)NC2CCN(C3CC3)CC2)CC1
InChIInChI=1S/C17H31N3O/c1-13-4-8-17(12-18,9-5-13)16(21)19-14-6-10-20(11-7-14)15-2-3-15/h13-15H,2-12,18H2,1H3,(H,19,21)
InChIKeyHSLDXCAQMWOLKI-UHFFFAOYSA-N
XLogP1.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(aminomethyl)-N-(1-cyclopropylpiperidin-4-yl)-4-methylcyclohexane-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

1-(aminomethyl)-4-methyl-N-(1-propan-2-ylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 115441631
N-(4-aminocyclohexyl)-1-(aminomethyl)-4-methylcyclohexane-1-carboxamide
CID 115442068
1-(aminomethyl)-N-(4-hydroxycyclohexyl)-4-methylcyclohexane-1-carboxamide
CID 104966706
N-(1-acetylpiperidin-4-yl)-1-(aminomethyl)cyclopropane-1-carboxamide
CID 115452571
1-(aminomethyl)-N-(1-ethylpiperidin-4-yl)cyclopentane-1-carboxamide;dihydrochloride
CID 119831826
4-(aminomethyl)-N-(1-cyclopentylpyrrolidin-3-yl)oxane-4-carboxamide;dihydrochloride
CID 120941198
1-(aminomethyl)-N-(3-methylcyclopentyl)cyclobutane-1-carboxamide
CID 114545052
1-(aminomethyl)-3-methyl-N-(1-methylpyrrolidin-3-yl)cyclobutane-1-carboxamide
CID 80588230
1-(aminomethyl)-N-(4-propan-2-ylcyclohexyl)cyclopropane-1-carboxamide
CID 71234398
4-amino-N-(1-cyclopropylpiperidin-4-yl)butanamide
CID 43711759
1-(aminomethyl)-4-methyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)cyclohexane-1-carboxamide
CID 115442318
1-(aminomethyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119853473

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(1-cyclopropylpiperidin-4-yl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(1-cyclopropylpiperidin-4-yl)-4-methylcyclohexane-1-carboxamide (CID 115441634) is 1-(aminomethyl)-N-(1-cyclopropylpiperidin-4-yl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(1-cyclopropylpiperidin-4-yl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(1-cyclopropylpiperidin-4-yl)-4-methylcyclohexane-1-carboxamide is CC1CCC(CN)(C(=O)NC2CCN(C3CC3)CC2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(1-cyclopropylpiperidin-4-yl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is HSLDXCAQMWOLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-13-4-8-17(12-18,9-5-13)16(21)19-14-6-10-20(11-7-14)15-2-3-15/h13-15H,2-12,18H2,1H3,(H,19,21).
What are the key properties of 1-(aminomethyl)-N-(1-cyclopropylpiperidin-4-yl)-4-methylcyclohexane-1-carboxamide?
1-(aminomethyl)-N-(1-cyclopropylpiperidin-4-yl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 293.45 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(1-cyclopropylpiperidin-4-yl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 115441634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).