4-(3-chlorophenyl)-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide

C22H25ClN4O2 — CID 7490033

IUPAC4-(3-chlorophenyl)-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
SMILESCc1ccc(N2C[C@@H](NC(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2=O)cc1
InChIInChI=1S/C22H25ClN4O2/c1-16-5-7-19(8-6-16)27-15-18(14-21(27)28)24-22(29)26-11-9-25(10-12-26)20-4-2-3-17(23)13-20/h2-8,13,18H,9-12,14-15H2,1H3,(H,24,29)/t18-/m0/s1
InChIKeyNYUVPFMMNYCWRG-SFHVURJKSA-N
MW412.92 g/mol
LogP3.29
Rot. Bonds3

About 4-(3-chlorophenyl)-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide

4-(3-chlorophenyl)-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide (PubChem CID 7490033) has the molecular formula C22H25ClN4O2 and a molecular weight of 412.92 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
PubChem CID7490033
Molecular FormulaC22H25ClN4O2
Molecular Weight412.92 g/mol
Exact Mass412.17
IUPAC Name4-(3-chlorophenyl)-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
SMILESCc1ccc(N2C[C@@H](NC(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2=O)cc1
InChIInChI=1S/C22H25ClN4O2/c1-16-5-7-19(8-6-16)27-15-18(14-21(27)28)24-22(29)26-11-9-25(10-12-26)20-4-2-3-17(23)13-20/h2-8,13,18H,9-12,14-15H2,1H3,(H,24,29)/t18-/m0/s1
InChIKeyNYUVPFMMNYCWRG-SFHVURJKSA-N
XLogP3.29
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-acetylphenyl)-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7162491
4-methyl-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 43969378
3-chloro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547239
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-phenylpiperazine-1-carboxamide
CID 43969541
ethyl 4-[[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperazine-1-carboxylate
CID 7513689
4-(4-methoxyphenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperazine-1-carboxamide
CID 7490013
4-(2-chlorophenyl)-N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 16812468
4-(4-methoxyphenyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7163162
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 41106609
4-(furan-2-carbonyl)-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7209116
4-(4-acetylphenyl)-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 43970230
N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazin-4-ium-1-carboxamide
CID 7548682

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide (CID 7490033) is 4-(3-chlorophenyl)-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide is Cc1ccc(N2C[C@@H](NC(=O)N3CCN(c4cccc(Cl)c4)CC3)CC2=O)cc1.
What is the InChIKey of 4-(3-chlorophenyl)-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide?
The InChIKey is NYUVPFMMNYCWRG-SFHVURJKSA-N. The full InChI is InChI=1S/C22H25ClN4O2/c1-16-5-7-19(8-6-16)27-15-18(14-21(27)28)24-22(29)26-11-9-25(10-12-26)20-4-2-3-17(23)13-20/h2-8,13,18H,9-12,14-15H2,1H3,(H,24,29)/t18-/m0/s1.
What are the key properties of 4-(3-chlorophenyl)-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide?
4-(3-chlorophenyl)-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide has a molecular weight of 412.92 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 7490033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).