3-[1-(2,4-dichlorophenyl)propylamino]piperidin-2-one

C14H18Cl2N2O — CID 62093760

IUPAC3-[1-(2,4-dichlorophenyl)propylamino]piperidin-2-one
SMILESCCC(NC1CCCNC1=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2O/c1-2-12(10-6-5-9(15)8-11(10)16)18-13-4-3-7-17-14(13)19/h5-6,8,12-13,18H,2-4,7H2,1H3,(H,17,19)
InChIKeyOTLNOQNQGHKXFZ-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.31
Rot. Bonds4

About 3-[1-(2,4-dichlorophenyl)propylamino]piperidin-2-one

3-[1-(2,4-dichlorophenyl)propylamino]piperidin-2-one (PubChem CID 62093760) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is 3-[1-(2,4-dichlorophenyl)propylamino]piperidin-2-one.

Molecular Properties

Compound Name3-[1-(2,4-dichlorophenyl)propylamino]piperidin-2-one
PubChem CID62093760
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name3-[1-(2,4-dichlorophenyl)propylamino]piperidin-2-one
SMILESCCC(NC1CCCNC1=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2O/c1-2-12(10-6-5-9(15)8-11(10)16)18-13-4-3-7-17-14(13)19/h5-6,8,12-13,18H,2-4,7H2,1H3,(H,17,19)
InChIKeyOTLNOQNQGHKXFZ-UHFFFAOYSA-N
XLogP3.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dichlorophenyl)propyl]-2-methylcyclopentan-1-amine
CID 63463585
N-[1-(2,4-dichlorophenyl)propyl]-4-methylcyclohexan-1-amine
CID 43503316
3-[1-(4-bromo-2-chlorophenyl)ethylamino]azepan-2-one
CID 82774186
3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]azepan-2-one
CID 81354601
N-[1-(2,4-dichlorophenyl)propyl]-2,6-dimethylpiperidin-1-amine
CID 83006822
N-[1-(2,4-dichlorophenyl)propyl]-2-methyloxan-4-amine
CID 103907260
3-(pentan-2-ylamino)piperidin-2-one
CID 62092466
N-[1-(2,4-dichlorophenyl)propyl]-3,4-difluoroaniline
CID 43503317
N-[1-(2,4-dichlorophenyl)propyl]-4-propan-2-ylaniline
CID 43503309
N-[1-(2,4-dichlorophenyl)propyl]-3,4,5-trifluoroaniline
CID 63478229
2,6-dichloro-4-[1-(2,4-dichlorophenyl)propylamino]phenol
CID 107679171
N-[4-[1-(2,4-dichlorophenyl)propylamino]phenyl]acetamide
CID 112827917

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-dichlorophenyl)propylamino]piperidin-2-one?
The IUPAC name of 3-[1-(2,4-dichlorophenyl)propylamino]piperidin-2-one (CID 62093760) is 3-[1-(2,4-dichlorophenyl)propylamino]piperidin-2-one.
What is the SMILES notation for 3-[1-(2,4-dichlorophenyl)propylamino]piperidin-2-one?
The canonical SMILES for 3-[1-(2,4-dichlorophenyl)propylamino]piperidin-2-one is CCC(NC1CCCNC1=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[1-(2,4-dichlorophenyl)propylamino]piperidin-2-one?
The InChIKey is OTLNOQNQGHKXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-2-12(10-6-5-9(15)8-11(10)16)18-13-4-3-7-17-14(13)19/h5-6,8,12-13,18H,2-4,7H2,1H3,(H,17,19).
What are the key properties of 3-[1-(2,4-dichlorophenyl)propylamino]piperidin-2-one?
3-[1-(2,4-dichlorophenyl)propylamino]piperidin-2-one has a molecular weight of 301.22 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-dichlorophenyl)propylamino]piperidin-2-one is sourced from PubChem (CID 62093760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).