(5S)-5-[4-(2-chlorophenyl)piperazin-1-yl]pyrrolidin-2-one

C14H18ClN3O — CID 92951788

IUPAC(5S)-5-[4-(2-chlorophenyl)piperazin-1-yl]pyrrolidin-2-one
SMILESO=C1CC[C@H](N2CCN(c3ccccc3Cl)CC2)N1
InChIInChI=1S/C14H18ClN3O/c15-11-3-1-2-4-12(11)17-7-9-18(10-8-17)13-5-6-14(19)16-13/h1-4,13H,5-10H2,(H,16,19)/t13-/m0/s1
InChIKeyJLDHNWJKXYTDCS-ZDUSSCGKSA-N
MW279.77 g/mol
LogP1.70
Rot. Bonds2

About (5S)-5-[4-(2-chlorophenyl)piperazin-1-yl]pyrrolidin-2-one

(5S)-5-[4-(2-chlorophenyl)piperazin-1-yl]pyrrolidin-2-one (PubChem CID 92951788) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is (5S)-5-[4-(2-chlorophenyl)piperazin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[4-(2-chlorophenyl)piperazin-1-yl]pyrrolidin-2-one
PubChem CID92951788
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name(5S)-5-[4-(2-chlorophenyl)piperazin-1-yl]pyrrolidin-2-one
SMILESO=C1CC[C@H](N2CCN(c3ccccc3Cl)CC2)N1
InChIInChI=1S/C14H18ClN3O/c15-11-3-1-2-4-12(11)17-7-9-18(10-8-17)13-5-6-14(19)16-13/h1-4,13H,5-10H2,(H,16,19)/t13-/m0/s1
InChIKeyJLDHNWJKXYTDCS-ZDUSSCGKSA-N
XLogP1.70
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidin-2-one
CID 3021869
3-[4-(2-chlorophenyl)piperazin-1-yl]azepan-2-one
CID 17426374
1-(3-bicyclo[3.2.1]octanyl)-4-(2-chlorophenyl)piperazine
CID 11381175
1-(2-chlorophenyl)-1,4-diazocan-5-one
CID 117015458
(4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 129377317
3-[4-(2-chlorophenyl)piperazin-1-yl]cyclopentan-1-amine
CID 79468286
1-(2-chlorophenyl)piperidine-4-carbaldehyde
CID 143235350
1-(2-chlorophenyl)piperazine
CID 162116490
(NZ)-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]cyclododecylidene]hydroxylamine
CID 6158664
2-[4-(2-chlorophenyl)piperazin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole
CID 133381827
6-(2-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1,3-diazinan-4-one
CID 73369799
[4-(2-chlorophenyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
CID 18545111

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[4-(2-chlorophenyl)piperazin-1-yl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[4-(2-chlorophenyl)piperazin-1-yl]pyrrolidin-2-one (CID 92951788) is (5S)-5-[4-(2-chlorophenyl)piperazin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[4-(2-chlorophenyl)piperazin-1-yl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[4-(2-chlorophenyl)piperazin-1-yl]pyrrolidin-2-one is O=C1CC[C@H](N2CCN(c3ccccc3Cl)CC2)N1.
What is the InChIKey of (5S)-5-[4-(2-chlorophenyl)piperazin-1-yl]pyrrolidin-2-one?
The InChIKey is JLDHNWJKXYTDCS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18ClN3O/c15-11-3-1-2-4-12(11)17-7-9-18(10-8-17)13-5-6-14(19)16-13/h1-4,13H,5-10H2,(H,16,19)/t13-/m0/s1.
What are the key properties of (5S)-5-[4-(2-chlorophenyl)piperazin-1-yl]pyrrolidin-2-one?
(5S)-5-[4-(2-chlorophenyl)piperazin-1-yl]pyrrolidin-2-one has a molecular weight of 279.77 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[4-(2-chlorophenyl)piperazin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 92951788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).