1-[2-[1-(4-chlorophenyl)propan-2-yl-ethylamino]ethyl]piperidin-2-one

C18H27ClN2O — CID 69221614

IUPAC1-[2-[1-(4-chlorophenyl)propan-2-yl-ethylamino]ethyl]piperidin-2-one
SMILESCCN(CCN1CCCCC1=O)C(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H27ClN2O/c1-3-20(12-13-21-11-5-4-6-18(21)22)15(2)14-16-7-9-17(19)10-8-16/h7-10,15H,3-6,11-14H2,1-2H3
InChIKeyJPZDVNSPQXUVGW-UHFFFAOYSA-N
MW322.88 g/mol
LogP3.61
Rot. Bonds7

About 1-[2-[1-(4-chlorophenyl)propan-2-yl-ethylamino]ethyl]piperidin-2-one

1-[2-[1-(4-chlorophenyl)propan-2-yl-ethylamino]ethyl]piperidin-2-one (PubChem CID 69221614) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is 1-[2-[1-(4-chlorophenyl)propan-2-yl-ethylamino]ethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(4-chlorophenyl)propan-2-yl-ethylamino]ethyl]piperidin-2-one
PubChem CID69221614
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC Name1-[2-[1-(4-chlorophenyl)propan-2-yl-ethylamino]ethyl]piperidin-2-one
SMILESCCN(CCN1CCCCC1=O)C(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H27ClN2O/c1-3-20(12-13-21-11-5-4-6-18(21)22)15(2)14-16-7-9-17(19)10-8-16/h7-10,15H,3-6,11-14H2,1-2H3
InChIKeyJPZDVNSPQXUVGW-UHFFFAOYSA-N
XLogP3.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[1-(4-chlorophenyl)propan-2-yl-ethylamino]ethyl]piperidine-2-carbaldehyde
CID 174389315
1-[4-[1-(3-chloro-4-methylsulfonylphenyl)propan-2-yl-ethylamino]butyl]azepan-2-one
CID 69225330
1-[4-[1-[3-(benzenesulfonyl)phenyl]propan-2-yl-ethylamino]butyl]azepan-2-one
CID 69223641
1-[3-(4-chlorophenyl)propyl]pyrrolidin-2-one
CID 70380945
(2R)-3-(4-chlorophenyl)-2-(2-oxopiperidin-1-yl)propanal
CID 22860992
methyl 4-[2-[ethyl-[4-(7-oxo-1,4-diazepan-1-yl)butyl]amino]propyl]benzoate
CID 69225052
N-[2-(azepan-1-yl)ethyl]-N-ethyl-1-[4-(trifluoromethylsulfonyl)phenyl]propan-2-amine
CID 141043385
2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide
CID 91767042
1-(4-chlorophenyl)-3-[2-(2-oxopyrrolidin-1-yl)ethyl]thiourea
CID 100757829
2-[(4-chlorophenyl)methyl-methylamino]-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 87013297
1-[2-[(6-methoxy-3-pyridinyl)methyl-methylamino]ethyl]piperidin-2-one
CID 77089464
(2R)-1-(4-chlorophenyl)-N,N-dimethylpropan-2-amine
CID 59871381

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(4-chlorophenyl)propan-2-yl-ethylamino]ethyl]piperidin-2-one?
The IUPAC name of 1-[2-[1-(4-chlorophenyl)propan-2-yl-ethylamino]ethyl]piperidin-2-one (CID 69221614) is 1-[2-[1-(4-chlorophenyl)propan-2-yl-ethylamino]ethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-[1-(4-chlorophenyl)propan-2-yl-ethylamino]ethyl]piperidin-2-one?
The canonical SMILES for 1-[2-[1-(4-chlorophenyl)propan-2-yl-ethylamino]ethyl]piperidin-2-one is CCN(CCN1CCCCC1=O)C(C)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-[1-(4-chlorophenyl)propan-2-yl-ethylamino]ethyl]piperidin-2-one?
The InChIKey is JPZDVNSPQXUVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O/c1-3-20(12-13-21-11-5-4-6-18(21)22)15(2)14-16-7-9-17(19)10-8-16/h7-10,15H,3-6,11-14H2,1-2H3.
What are the key properties of 1-[2-[1-(4-chlorophenyl)propan-2-yl-ethylamino]ethyl]piperidin-2-one?
1-[2-[1-(4-chlorophenyl)propan-2-yl-ethylamino]ethyl]piperidin-2-one has a molecular weight of 322.88 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(4-chlorophenyl)propan-2-yl-ethylamino]ethyl]piperidin-2-one is sourced from PubChem (CID 69221614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).