1-[2-chloro-4-[[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]phenyl]pyrrolidin-2-one

C23H27ClN4O2 — CID 32508446

IUPAC1-[2-chloro-4-[[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]phenyl]pyrrolidin-2-one
SMILESC[C@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H27ClN4O2/c1-17(23(30)27-14-12-26(13-15-27)19-6-3-2-4-7-19)25-18-9-10-21(20(24)16-18)28-11-5-8-22(28)29/h2-4,6-7,9-10,16-17,25H,5,8,11-15H2,1H3/t17-/m0/s1
InChIKeyAYSCCIMYAWHSHB-KRWDZBQOSA-N
MW426.95 g/mol
LogP3.62
Rot. Bonds5

About 1-[2-chloro-4-[[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]phenyl]pyrrolidin-2-one

1-[2-chloro-4-[[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]phenyl]pyrrolidin-2-one (PubChem CID 32508446) has the molecular formula C23H27ClN4O2 and a molecular weight of 426.95 g/mol. Its IUPAC name is 1-[2-chloro-4-[[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-chloro-4-[[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]phenyl]pyrrolidin-2-one
PubChem CID32508446
Molecular FormulaC23H27ClN4O2
Molecular Weight426.95 g/mol
Exact Mass426.18
IUPAC Name1-[2-chloro-4-[[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]phenyl]pyrrolidin-2-one
SMILESC[C@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H27ClN4O2/c1-17(23(30)27-14-12-26(13-15-27)19-6-3-2-4-7-19)25-18-9-10-21(20(24)16-18)28-11-5-8-22(28)29/h2-4,6-7,9-10,16-17,25H,5,8,11-15H2,1H3/t17-/m0/s1
InChIKeyAYSCCIMYAWHSHB-KRWDZBQOSA-N
XLogP3.62
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-chloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 25351776
6-[[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 34310061
(2S)-2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2-ethoxyphenyl)propanamide
CID 32508323
1-[2-chloro-4-(methylamino)phenyl]pyrrolidin-2-one
CID 63090019
2-(4-ethoxyanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 17449282
2-(4-cyclopentyloxyanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 55572273
(2S)-2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-N-quinolin-5-ylpropanamide
CID 34281309
(2R)-2-methyl-6-[[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]-4H-1,4-benzoxazin-3-one
CID 25328815
(2S)-2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-phenylpropanamide
CID 41397114
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(3-chlorophenyl)sulfonylamino]propanamide
CID 42890350
(2R)-2-(2,5-dimethylanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 25340673
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]quinoxaline-2-carboxamide
CID 17452256

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-[[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-chloro-4-[[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]phenyl]pyrrolidin-2-one (CID 32508446) is 1-[2-chloro-4-[[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-chloro-4-[[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-chloro-4-[[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]phenyl]pyrrolidin-2-one is C[C@H](Nc1ccc(N2CCCC2=O)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[2-chloro-4-[[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]phenyl]pyrrolidin-2-one?
The InChIKey is AYSCCIMYAWHSHB-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H27ClN4O2/c1-17(23(30)27-14-12-26(13-15-27)19-6-3-2-4-7-19)25-18-9-10-21(20(24)16-18)28-11-5-8-22(28)29/h2-4,6-7,9-10,16-17,25H,5,8,11-15H2,1H3/t17-/m0/s1.
What are the key properties of 1-[2-chloro-4-[[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]phenyl]pyrrolidin-2-one?
1-[2-chloro-4-[[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]phenyl]pyrrolidin-2-one has a molecular weight of 426.95 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-[[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 32508446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).