[4-(aminomethyl)-4-methylpiperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone

C17H32N2O — CID 107160172

IUPAC[4-(aminomethyl)-4-methylpiperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone
SMILESCC(C)CC1(C(=O)N2CCC(C)(CN)CC2)CCCC1
InChIInChI=1S/C17H32N2O/c1-14(2)12-17(6-4-5-7-17)15(20)19-10-8-16(3,13-18)9-11-19/h14H,4-13,18H2,1-3H3
InChIKeyAQLQHADJSHOCNR-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.18
Rot. Bonds4

About [4-(aminomethyl)-4-methylpiperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone

[4-(aminomethyl)-4-methylpiperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone (PubChem CID 107160172) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is [4-(aminomethyl)-4-methylpiperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone.

Molecular Properties

Compound Name[4-(aminomethyl)-4-methylpiperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone
PubChem CID107160172
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name[4-(aminomethyl)-4-methylpiperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone
SMILESCC(C)CC1(C(=O)N2CCC(C)(CN)CC2)CCCC1
InChIInChI=1S/C17H32N2O/c1-14(2)12-17(6-4-5-7-17)15(20)19-10-8-16(3,13-18)9-11-19/h14H,4-13,18H2,1-3H3
InChIKeyAQLQHADJSHOCNR-UHFFFAOYSA-N
XLogP3.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(aminomethyl)-4-methylpiperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone 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

N,N-dimethyl-4-[1-(2-methylpropyl)cyclopentanecarbonyl]piperazine-1-carboxamide
CID 75425461
1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylpropan-1-one
CID 107160042
[1-(aminomethyl)cyclopentyl]-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404093
2-methyl-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-2-carboxylic acid
CID 104595515
[1-(aminomethyl)cyclohexyl]-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 115437590
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride
CID 120803842
[1-(aminomethyl)cyclopentyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355739
[4-(ethylaminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone
CID 80550886
[4-(2-chloroethoxy)piperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone
CID 82688976
1,4-diazepan-1-yl-[1-(2-methylpropyl)cyclobutyl]methanone;hydrochloride
CID 119415243
[1-(aminomethyl)cyclopentyl]-(azepan-1-yl)methanone;hydrochloride
CID 119669538
[3-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone;hydrochloride
CID 119593126

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-4-methylpiperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone?
The IUPAC name of [4-(aminomethyl)-4-methylpiperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone (CID 107160172) is [4-(aminomethyl)-4-methylpiperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone.
What is the SMILES notation for [4-(aminomethyl)-4-methylpiperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone?
The canonical SMILES for [4-(aminomethyl)-4-methylpiperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone is CC(C)CC1(C(=O)N2CCC(C)(CN)CC2)CCCC1.
What is the InChIKey of [4-(aminomethyl)-4-methylpiperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone?
The InChIKey is AQLQHADJSHOCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-14(2)12-17(6-4-5-7-17)15(20)19-10-8-16(3,13-18)9-11-19/h14H,4-13,18H2,1-3H3.
What are the key properties of [4-(aminomethyl)-4-methylpiperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone?
[4-(aminomethyl)-4-methylpiperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone has a molecular weight of 280.46 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-4-methylpiperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone is sourced from PubChem (CID 107160172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).