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

C24H32ClN3O3 — CID 42189233

IUPAC4-[(3S)-1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]-1-cyclohexylpiperazin-2-one
SMILESO=C1CC[C@H](C(=O)N2CCN(C3CCCCC3)C(=O)C2)CN1CCc1ccc(Cl)cc1
InChIInChI=1S/C24H32ClN3O3/c25-20-9-6-18(7-10-20)12-13-26-16-19(8-11-22(26)29)24(31)27-14-15-28(23(30)17-27)21-4-2-1-3-5-21/h6-7,9-10,19,21H,1-5,8,11-17H2/t19-/m0/s1
InChIKeyZIGVXODZVMKBJI-IBGZPJMESA-N
MW445.99 g/mol
LogP3.12
Rot. Bonds5

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

4-[(3S)-1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]-1-cyclohexylpiperazin-2-one (PubChem CID 42189233) has the molecular formula C24H32ClN3O3 and a molecular weight of 445.99 g/mol. Its IUPAC name is 4-[(3S)-1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]-1-cyclohexylpiperazin-2-one.

Molecular Properties

Compound Name4-[(3S)-1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]-1-cyclohexylpiperazin-2-one
PubChem CID42189233
Molecular FormulaC24H32ClN3O3
Molecular Weight445.99 g/mol
Exact Mass445.21
IUPAC Name4-[(3S)-1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]-1-cyclohexylpiperazin-2-one
SMILESO=C1CC[C@H](C(=O)N2CCN(C3CCCCC3)C(=O)C2)CN1CCc1ccc(Cl)cc1
InChIInChI=1S/C24H32ClN3O3/c25-20-9-6-18(7-10-20)12-13-26-16-19(8-11-22(26)29)24(31)27-14-15-28(23(30)17-27)21-4-2-1-3-5-21/h6-7,9-10,19,21H,1-5,8,11-17H2/t19-/m0/s1
InChIKeyZIGVXODZVMKBJI-IBGZPJMESA-N
XLogP3.12
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.99
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(3S)-1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]-1-cyclohexylpiperazin-2-one with MolForge

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Related Compounds

4-[1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]-1-cyclohexylpiperazin-2-one
CID 45173232
1-cyclohexyl-4-[(3R)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carbonyl]piperazin-2-one
CID 25288202
1-cyclopentyl-4-[6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carbonyl]piperazin-2-one
CID 56707500
1-[(4-chlorophenyl)methyl]-5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidin-2-one
CID 45217031
4-[(3S)-6-oxo-1-(2-phenylethyl)piperidine-3-carbonyl]-1,4-diazepane-1-carbaldehyde
CID 25295339
(5S)-5-(4-acetylpiperazine-1-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]piperidin-2-one
CID 26334745
1-[(4-chlorophenyl)methyl]-5-(thiomorpholine-4-carbonyl)piperidin-2-one
CID 24790872
[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-cyclohexylmethanone
CID 113074560
3-(4-cyclohexyl-3-oxopiperazine-1-carbonyl)piperidine-1-carboxamide
CID 131918987
ethyl 4-[(3S)-6-oxo-1-(2-phenylethyl)piperidine-3-carbonyl]piperazine-1-carboxylate
CID 42380861
ethyl 4-[(3S)-1-[(4-chlorophenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazine-1-carboxylate
CID 42394382
4-[1-[2-(dimethylamino)ethyl]-6-oxopiperidine-3-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 45204392

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]-1-cyclohexylpiperazin-2-one?
The IUPAC name of 4-[(3S)-1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]-1-cyclohexylpiperazin-2-one (CID 42189233) is 4-[(3S)-1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]-1-cyclohexylpiperazin-2-one.
What is the SMILES notation for 4-[(3S)-1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]-1-cyclohexylpiperazin-2-one?
The canonical SMILES for 4-[(3S)-1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]-1-cyclohexylpiperazin-2-one is O=C1CC[C@H](C(=O)N2CCN(C3CCCCC3)C(=O)C2)CN1CCc1ccc(Cl)cc1.
What is the InChIKey of 4-[(3S)-1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]-1-cyclohexylpiperazin-2-one?
The InChIKey is ZIGVXODZVMKBJI-IBGZPJMESA-N. The full InChI is InChI=1S/C24H32ClN3O3/c25-20-9-6-18(7-10-20)12-13-26-16-19(8-11-22(26)29)24(31)27-14-15-28(23(30)17-27)21-4-2-1-3-5-21/h6-7,9-10,19,21H,1-5,8,11-17H2/t19-/m0/s1.
What are the key properties of 4-[(3S)-1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]-1-cyclohexylpiperazin-2-one?
4-[(3S)-1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]-1-cyclohexylpiperazin-2-one has a molecular weight of 445.99 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-1-[2-(4-chlorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]-1-cyclohexylpiperazin-2-one is sourced from PubChem (CID 42189233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).