3-[4-[(dimethylamino)methyl]piperidin-1-yl]cyclopent-2-en-1-one

C13H22N2O — CID 104787803

IUPAC3-[4-[(dimethylamino)methyl]piperidin-1-yl]cyclopent-2-en-1-one
SMILESCN(C)CC1CCN(C2=CC(=O)CC2)CC1
InChIInChI=1S/C13H22N2O/c1-14(2)10-11-5-7-15(8-6-11)12-3-4-13(16)9-12/h9,11H,3-8,10H2,1-2H3
InChIKeyRVIZZMFOUNNOMZ-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.51
Rot. Bonds3

About 3-[4-[(dimethylamino)methyl]piperidin-1-yl]cyclopent-2-en-1-one

3-[4-[(dimethylamino)methyl]piperidin-1-yl]cyclopent-2-en-1-one (PubChem CID 104787803) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-[4-[(dimethylamino)methyl]piperidin-1-yl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[4-[(dimethylamino)methyl]piperidin-1-yl]cyclopent-2-en-1-one
PubChem CID104787803
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-[4-[(dimethylamino)methyl]piperidin-1-yl]cyclopent-2-en-1-one
SMILESCN(C)CC1CCN(C2=CC(=O)CC2)CC1
InChIInChI=1S/C13H22N2O/c1-14(2)10-11-5-7-15(8-6-11)12-3-4-13(16)9-12/h9,11H,3-8,10H2,1-2H3
InChIKeyRVIZZMFOUNNOMZ-UHFFFAOYSA-N
XLogP1.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[4-[(dimethylamino)methyl]piperidin-1-yl]cyclopent-2-en-1-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

3-[3-(diethylamino)pyrrolidin-1-yl]cyclopent-2-en-1-one
CID 104787910
3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]cyclobut-2-en-1-one
CID 25057268
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)cyclopent-2-en-1-one
CID 104788019
(1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine
CID 78934565
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3,5-difluorobenzaldehyde
CID 63051563
(3R)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]cyclohexan-1-one
CID 124516728
1-[1-(bromomethylsulfonyl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 83085091
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-1,3-thiazole-5-carbaldehyde
CID 62750800
1-[4-bromo-2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanone
CID 82966964
2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 60965985
(1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]propan-1-ol
CID 103959921
1-[1-[4-(bromomethyl)-2,6-difluorophenyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 107081713

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(dimethylamino)methyl]piperidin-1-yl]cyclopent-2-en-1-one?
The IUPAC name of 3-[4-[(dimethylamino)methyl]piperidin-1-yl]cyclopent-2-en-1-one (CID 104787803) is 3-[4-[(dimethylamino)methyl]piperidin-1-yl]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[4-[(dimethylamino)methyl]piperidin-1-yl]cyclopent-2-en-1-one?
The canonical SMILES for 3-[4-[(dimethylamino)methyl]piperidin-1-yl]cyclopent-2-en-1-one is CN(C)CC1CCN(C2=CC(=O)CC2)CC1.
What is the InChIKey of 3-[4-[(dimethylamino)methyl]piperidin-1-yl]cyclopent-2-en-1-one?
The InChIKey is RVIZZMFOUNNOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-14(2)10-11-5-7-15(8-6-11)12-3-4-13(16)9-12/h9,11H,3-8,10H2,1-2H3.
What are the key properties of 3-[4-[(dimethylamino)methyl]piperidin-1-yl]cyclopent-2-en-1-one?
3-[4-[(dimethylamino)methyl]piperidin-1-yl]cyclopent-2-en-1-one has a molecular weight of 222.33 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(dimethylamino)methyl]piperidin-1-yl]cyclopent-2-en-1-one is sourced from PubChem (CID 104787803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).