(4S)-1-(4-methylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one

C20H23N5O2 — CID 9242636

IUPAC(4S)-1-(4-methylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCc1ccc(N2C[C@@H](C(=O)N3CCN(c4ncccn4)CC3)CC2=O)cc1
InChIInChI=1S/C20H23N5O2/c1-15-3-5-17(6-4-15)25-14-16(13-18(25)26)19(27)23-9-11-24(12-10-23)20-21-7-2-8-22-20/h2-8,16H,9-14H2,1H3/t16-/m0/s1
InChIKeyLEWSRZUCXAXIRZ-INIZCTEOSA-N
MW365.44 g/mol
LogP1.49
Rot. Bonds3

About (4S)-1-(4-methylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one

(4S)-1-(4-methylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 9242636) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is (4S)-1-(4-methylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(4-methylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID9242636
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name(4S)-1-(4-methylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCc1ccc(N2C[C@@H](C(=O)N3CCN(c4ncccn4)CC3)CC2=O)cc1
InChIInChI=1S/C20H23N5O2/c1-15-3-5-17(6-4-15)25-14-16(13-18(25)26)19(27)23-9-11-24(12-10-23)20-21-7-2-8-22-20/h2-8,16H,9-14H2,1H3/t16-/m0/s1
InChIKeyLEWSRZUCXAXIRZ-INIZCTEOSA-N
XLogP1.49
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113186142
1-(4-methylphenyl)-4-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 122334353
(4S)-1-(4-methylphenyl)-4-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9254747
(4R)-1-(4-methylphenyl)-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 8933726
(4S)-4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 41168133
4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 108731260
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
4-[4-(methylamino)piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one;hydrochloride
CID 119563164
4-[4-(2-methyl-6-phenoxypyrimidin-4-yl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 122332538
1-(4-methylphenyl)-4-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 91631587
1-(4-methylphenyl)-4-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 121058652
(3S)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136562

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(4-methylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of (4S)-1-(4-methylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 9242636) is (4S)-1-(4-methylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(4-methylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(4-methylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one is Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4ncccn4)CC3)CC2=O)cc1.
What is the InChIKey of (4S)-1-(4-methylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is LEWSRZUCXAXIRZ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-15-3-5-17(6-4-15)25-14-16(13-18(25)26)19(27)23-9-11-24(12-10-23)20-21-7-2-8-22-20/h2-8,16H,9-14H2,1H3/t16-/m0/s1.
What are the key properties of (4S)-1-(4-methylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
(4S)-1-(4-methylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 365.44 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(4-methylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 9242636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).