(4S)-1-(4-methoxyphenyl)-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one

C22H24N4O4 — CID 29135200

IUPAC(4S)-1-(4-methoxyphenyl)-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)c4cccnc4)CC3)CC2=O)cc1
InChIInChI=1S/C22H24N4O4/c1-30-19-6-4-18(5-7-19)26-15-17(13-20(26)27)22(29)25-11-9-24(10-12-25)21(28)16-3-2-8-23-14-16/h2-8,14,17H,9-13,15H2,1H3/t17-/m0/s1
InChIKeyGPTTVJVSRCSUDF-KRWDZBQOSA-N
MW408.46 g/mol
LogP1.43
Rot. Bonds4

About (4S)-1-(4-methoxyphenyl)-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one

(4S)-1-(4-methoxyphenyl)-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 29135200) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is (4S)-1-(4-methoxyphenyl)-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(4-methoxyphenyl)-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID29135200
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name(4S)-1-(4-methoxyphenyl)-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)c4cccnc4)CC3)CC2=O)cc1
InChIInChI=1S/C22H24N4O4/c1-30-19-6-4-18(5-7-19)26-15-17(13-20(26)27)22(29)25-11-9-24(10-12-25)21(28)16-3-2-8-23-14-16/h2-8,14,17H,9-13,15H2,1H3/t17-/m0/s1
InChIKeyGPTTVJVSRCSUDF-KRWDZBQOSA-N
XLogP1.43
TPSA83.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-1-(3-methoxyphenyl)-4-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 29136650
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
4-(4-benzoylpiperazine-1-carbonyl)-1-(4-ethoxyphenyl)pyrrolidin-2-one
CID 47004545
4-[4-(1-hydroxy-2-methylpropan-2-yl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 75392272
(4S)-1-(4-methoxyphenyl)-4-[4-(3-methylbut-2-enoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 29134485
1-(4-methoxyphenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 42650428
1-(4-methoxyphenyl)-4-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 90558754
(4S)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 40822839
(4-methoxyphenyl)-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798519
1-(4-methoxyphenyl)-4-[3-(pyrimidin-2-ylamino)azetidine-1-carbonyl]pyrrolidin-2-one
CID 121187367
1-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 42534317
1-(4-methoxyphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119563790

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(4-methoxyphenyl)-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-(4-methoxyphenyl)-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 29135200) is (4S)-1-(4-methoxyphenyl)-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(4-methoxyphenyl)-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(4-methoxyphenyl)-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one is COc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)c4cccnc4)CC3)CC2=O)cc1.
What is the InChIKey of (4S)-1-(4-methoxyphenyl)-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is GPTTVJVSRCSUDF-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-30-19-6-4-18(5-7-19)26-15-17(13-20(26)27)22(29)25-11-9-24(10-12-25)21(28)16-3-2-8-23-14-16/h2-8,14,17H,9-13,15H2,1H3/t17-/m0/s1.
What are the key properties of (4S)-1-(4-methoxyphenyl)-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one?
(4S)-1-(4-methoxyphenyl)-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 408.46 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(4-methoxyphenyl)-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 29135200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).