4-[1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one

C18H22ClN3O3 — CID 24790115

IUPAC4-[1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)C2CCC(=O)N(CCc3ccc(Cl)cc3)C2)CCN1
InChIInChI=1S/C18H22ClN3O3/c19-15-4-1-13(2-5-15)7-9-21-11-14(3-6-17(21)24)18(25)22-10-8-20-16(23)12-22/h1-2,4-5,14H,3,6-12H2,(H,20,23)
InChIKeyVXUAGAVMSRPJNX-UHFFFAOYSA-N
MW363.85 g/mol
LogP1.08
Rot. Bonds4

About 4-[1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one

4-[1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one (PubChem CID 24790115) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is 4-[1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one
PubChem CID24790115
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC Name4-[1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)C2CCC(=O)N(CCc3ccc(Cl)cc3)C2)CCN1
InChIInChI=1S/C18H22ClN3O3/c19-15-4-1-13(2-5-15)7-9-21-11-14(3-6-17(21)24)18(25)22-10-8-20-16(23)12-22/h1-2,4-5,14H,3,6-12H2,(H,20,23)
InChIKeyVXUAGAVMSRPJNX-UHFFFAOYSA-N
XLogP1.08
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Uamc00039
CID 11232124
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-methyl-piperidin-1-yl)-butan-1-one
CID 10403949
(2S,4S)-4-(4-chlorobenzylamino)-2-amino-1-(piperidin-1-yl)pentan-1-one
CID 16046127
(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 56680282
2-(4-chlorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 2232369
N~1~-[2-(1-Azepanyl)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 2233784
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylpentanamide
CID 24758045
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide
CID 24758047
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-phenylpropanamide
CID 24758171
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbutanamide
CID 24758173
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 24758294
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-cyclohexylacetamide
CID 24758295

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one?
The IUPAC name of 4-[1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one (CID 24790115) is 4-[1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one is O=C1CN(C(=O)C2CCC(=O)N(CCc3ccc(Cl)cc3)C2)CCN1.
What is the InChIKey of 4-[1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one?
The InChIKey is VXUAGAVMSRPJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c19-15-4-1-13(2-5-15)7-9-21-11-14(3-6-17(21)24)18(25)22-10-8-20-16(23)12-22/h1-2,4-5,14H,3,6-12H2,(H,20,23).
What are the key properties of 4-[1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one?
4-[1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one has a molecular weight of 363.85 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one is sourced from PubChem (CID 24790115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).