N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C24H29ClN4O2 — CID 3238617

IUPACN-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C24H29ClN4O2/c25-20-4-1-5-22(18-20)28-16-14-27(15-17-28)12-3-11-26-24(31)19-7-9-21(10-8-19)29-13-2-6-23(29)30/h1,4-5,7-10,18H,2-3,6,11-17H2,(H,26,31)
InChIKeyMQGGIXIXYIEYPU-UHFFFAOYSA-N
MW440.98 g/mol
LogP3.41
Rot. Bonds7

About N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 3238617) has the molecular formula C24H29ClN4O2 and a molecular weight of 440.98 g/mol. Its IUPAC name is N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID3238617
Molecular FormulaC24H29ClN4O2
Molecular Weight440.98 g/mol
Exact Mass440.20
IUPAC NameN-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C24H29ClN4O2/c25-20-4-1-5-22(18-20)28-16-14-27(15-17-28)12-3-11-26-24(31)19-7-9-21(10-8-19)29-13-2-6-23(29)30/h1,4-5,7-10,18H,2-3,6,11-17H2,(H,26,31)
InChIKeyMQGGIXIXYIEYPU-UHFFFAOYSA-N
XLogP3.41
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.98
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 3238617) is N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4-(2-oxopyrrolidin-1-yl)benzamide is O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is MQGGIXIXYIEYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O2/c25-20-4-1-5-22(18-20)28-16-14-27(15-17-28)12-3-11-26-24(31)19-7-9-21(10-8-19)29-13-2-6-23(29)30/h1,4-5,7-10,18H,2-3,6,11-17H2,(H,26,31).
What are the key properties of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 440.98 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 3238617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).