3-(3,4-dichloroanilino)-1-piperidin-1-ylpropan-1-one

C14H18Cl2N2O — CID 109013913

IUPAC3-(3,4-dichloroanilino)-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCNc1ccc(Cl)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C14H18Cl2N2O/c15-12-5-4-11(10-13(12)16)17-7-6-14(19)18-8-2-1-3-9-18/h4-5,10,17H,1-3,6-9H2
InChIKeyOGUFWWZSRINDQU-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.81
Rot. Bonds4

About 3-(3,4-dichloroanilino)-1-piperidin-1-ylpropan-1-one

3-(3,4-dichloroanilino)-1-piperidin-1-ylpropan-1-one (PubChem CID 109013913) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is 3-(3,4-dichloroanilino)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(3,4-dichloroanilino)-1-piperidin-1-ylpropan-1-one
PubChem CID109013913
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name3-(3,4-dichloroanilino)-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCNc1ccc(Cl)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C14H18Cl2N2O/c15-12-5-4-11(10-13(12)16)17-7-6-14(19)18-8-2-1-3-9-18/h4-5,10,17H,1-3,6-9H2
InChIKeyOGUFWWZSRINDQU-UHFFFAOYSA-N
XLogP3.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3,4-dichloroanilino)-1-piperidin-1-ylpropan-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

1-(azepan-1-yl)-3-(3-chloro-4-methoxyanilino)propan-1-one
CID 109033534
3-(3,4-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017604
3-(2,6-dichloroanilino)-1-piperidin-1-ylpropan-1-one
CID 109013917
2-(3-chloro-4-fluoroanilino)-1-piperidin-1-ylethanone
CID 39369835
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 109013384
3-(3,4-dimethoxyanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 109013354
3-(2,4-dichloroanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 109013396
4-[3-(3-chloro-4-fluoroanilino)propanoyl]piperazine-1-carbaldehyde
CID 109017865
3,4-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 82089741
N-cycloheptyl-3-(3,4-dichloroanilino)propanamide
CID 109031534
methyl 3-[(3-oxo-3-piperidin-1-ylpropyl)amino]benzoate
CID 109013882
3-(3-chloro-4-fluoroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109027256

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichloroanilino)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-(3,4-dichloroanilino)-1-piperidin-1-ylpropan-1-one (CID 109013913) is 3-(3,4-dichloroanilino)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(3,4-dichloroanilino)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-(3,4-dichloroanilino)-1-piperidin-1-ylpropan-1-one is O=C(CCNc1ccc(Cl)c(Cl)c1)N1CCCCC1.
What is the InChIKey of 3-(3,4-dichloroanilino)-1-piperidin-1-ylpropan-1-one?
The InChIKey is OGUFWWZSRINDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c15-12-5-4-11(10-13(12)16)17-7-6-14(19)18-8-2-1-3-9-18/h4-5,10,17H,1-3,6-9H2.
What are the key properties of 3-(3,4-dichloroanilino)-1-piperidin-1-ylpropan-1-one?
3-(3,4-dichloroanilino)-1-piperidin-1-ylpropan-1-one has a molecular weight of 301.22 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichloroanilino)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 109013913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).