1-[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one

C21H29ClN4O2 — CID 24817243

IUPAC1-[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(=O)N1CCCC(N2CCN(c3cccc(Cl)c3)CC2)C1
InChIInChI=1S/C21H29ClN4O2/c22-17-4-1-5-18(14-17)23-10-12-24(13-11-23)19-6-2-8-25(15-19)21(28)16-26-9-3-7-20(26)27/h1,4-5,14,19H,2-3,6-13,15-16H2
InChIKeyUCCRGMBVNJXJQP-UHFFFAOYSA-N
MW404.94 g/mol
LogP2.08
Rot. Bonds4

About 1-[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one

1-[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one (PubChem CID 24817243) has the molecular formula C21H29ClN4O2 and a molecular weight of 404.94 g/mol. Its IUPAC name is 1-[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
PubChem CID24817243
Molecular FormulaC21H29ClN4O2
Molecular Weight404.94 g/mol
Exact Mass404.20
IUPAC Name1-[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(=O)N1CCCC(N2CCN(c3cccc(Cl)c3)CC2)C1
InChIInChI=1S/C21H29ClN4O2/c22-17-4-1-5-18(14-17)23-10-12-24(13-11-23)19-6-2-8-25(15-19)21(28)16-26-9-3-7-20(26)27/h1,4-5,14,19H,2-3,6-13,15-16H2
InChIKeyUCCRGMBVNJXJQP-UHFFFAOYSA-N
XLogP2.08
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.94
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one (CID 24817243) is 1-[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one is O=C1CCCN1CC(=O)N1CCCC(N2CCN(c3cccc(Cl)c3)CC2)C1.
What is the InChIKey of 1-[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is UCCRGMBVNJXJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN4O2/c22-17-4-1-5-18(14-17)23-10-12-24(13-11-23)19-6-2-8-25(15-19)21(28)16-26-9-3-7-20(26)27/h1,4-5,14,19H,2-3,6-13,15-16H2.
What are the key properties of 1-[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
1-[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 404.94 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 24817243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).