1-[3-(cyclopropylamino)propyl]-3-methylpiperidin-2-one

C12H22N2O — CID 104679985

IUPAC1-[3-(cyclopropylamino)propyl]-3-methylpiperidin-2-one
SMILESCC1CCCN(CCCNC2CC2)C1=O
InChIInChI=1S/C12H22N2O/c1-10-4-2-8-14(12(10)15)9-3-7-13-11-5-6-11/h10-11,13H,2-9H2,1H3
InChIKeyHJWNCGKGQZXINT-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.39
Rot. Bonds5

About 1-[3-(cyclopropylamino)propyl]-3-methylpiperidin-2-one

1-[3-(cyclopropylamino)propyl]-3-methylpiperidin-2-one (PubChem CID 104679985) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-[3-(cyclopropylamino)propyl]-3-methylpiperidin-2-one.

Molecular Properties

Compound Name1-[3-(cyclopropylamino)propyl]-3-methylpiperidin-2-one
PubChem CID104679985
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-[3-(cyclopropylamino)propyl]-3-methylpiperidin-2-one
SMILESCC1CCCN(CCCNC2CC2)C1=O
InChIInChI=1S/C12H22N2O/c1-10-4-2-8-14(12(10)15)9-3-7-13-11-5-6-11/h10-11,13H,2-9H2,1H3
InChIKeyHJWNCGKGQZXINT-UHFFFAOYSA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-(cyclopropylamino)propyl]-3-methylpiperidin-2-one 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-[3-(cyclopropylamino)propyl]pyrrolidin-2-one
CID 61387245
5-(3-methyl-2-oxopiperidin-1-yl)pentanoic acid
CID 104679844
3-methyl-1-[5-(methylamino)hexyl]piperidin-2-one
CID 104680063
4-(3-methyl-2-oxopiperidin-1-yl)butanethioamide
CID 104680132
1-[3-[(4-ethylcyclohexyl)amino]propyl]pyrrolidin-2-one
CID 75413110
1-[3-[[(1R,3S)-3-methylcyclohexyl]amino]propyl]pyrrolidin-2-one
CID 118911543
(3R)-1-(cyclopropylmethyl)-3-methylpiperidin-2-one
CID 163890114
3-(3-methyl-2-oxopiperidin-1-yl)propanethioamide
CID 104680130
N-[3-(3-bromo-2-oxopiperidin-1-yl)propyl]methanesulfonamide
CID 106339440
1-[2-(2-chloroethoxy)ethyl]-3-methylpiperidin-2-one
CID 104679926
1-[2-cyclopentyl-2-(methylamino)ethyl]-3-methylpiperidin-2-one
CID 104748207
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]cyclopropanamine
CID 60868216

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylamino)propyl]-3-methylpiperidin-2-one?
The IUPAC name of 1-[3-(cyclopropylamino)propyl]-3-methylpiperidin-2-one (CID 104679985) is 1-[3-(cyclopropylamino)propyl]-3-methylpiperidin-2-one.
What is the SMILES notation for 1-[3-(cyclopropylamino)propyl]-3-methylpiperidin-2-one?
The canonical SMILES for 1-[3-(cyclopropylamino)propyl]-3-methylpiperidin-2-one is CC1CCCN(CCCNC2CC2)C1=O.
What is the InChIKey of 1-[3-(cyclopropylamino)propyl]-3-methylpiperidin-2-one?
The InChIKey is HJWNCGKGQZXINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10-4-2-8-14(12(10)15)9-3-7-13-11-5-6-11/h10-11,13H,2-9H2,1H3.
What are the key properties of 1-[3-(cyclopropylamino)propyl]-3-methylpiperidin-2-one?
1-[3-(cyclopropylamino)propyl]-3-methylpiperidin-2-one has a molecular weight of 210.32 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylamino)propyl]-3-methylpiperidin-2-one is sourced from PubChem (CID 104679985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).