4-chloro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(2-oxopyrrolidin-1-yl)benzamide

C26H33ClN4O2 — CID 34249962

IUPAC4-chloro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1cccc(N2CCN(CCCCNC(=O)c3ccc(Cl)cc3N3CCCC3=O)CC2)c1
InChIInChI=1S/C26H33ClN4O2/c1-20-6-4-7-22(18-20)30-16-14-29(15-17-30)12-3-2-11-28-26(33)23-10-9-21(27)19-24(23)31-13-5-8-25(31)32/h4,6-7,9-10,18-19H,2-3,5,8,11-17H2,1H3,(H,28,33)
InChIKeyPEDDLBWVYJSGNB-UHFFFAOYSA-N
MW469.03 g/mol
LogP4.11
Rot. Bonds8

About 4-chloro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(2-oxopyrrolidin-1-yl)benzamide

4-chloro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 34249962) has the molecular formula C26H33ClN4O2 and a molecular weight of 469.03 g/mol. Its IUPAC name is 4-chloro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID34249962
Molecular FormulaC26H33ClN4O2
Molecular Weight469.03 g/mol
Exact Mass468.23
IUPAC Name4-chloro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1cccc(N2CCN(CCCCNC(=O)c3ccc(Cl)cc3N3CCCC3=O)CC2)c1
InChIInChI=1S/C26H33ClN4O2/c1-20-6-4-7-22(18-20)30-16-14-29(15-17-30)12-3-2-11-28-26(33)23-10-9-21(27)19-24(23)31-13-5-8-25(31)32/h4,6-7,9-10,18-19H,2-3,5,8,11-17H2,1H3,(H,28,33)
InChIKeyPEDDLBWVYJSGNB-UHFFFAOYSA-N
XLogP4.11
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.03
LogP ≤ 54.11
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 4-chloro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of 4-chloro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(2-oxopyrrolidin-1-yl)benzamide (CID 34249962) is 4-chloro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for 4-chloro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for 4-chloro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(2-oxopyrrolidin-1-yl)benzamide is Cc1cccc(N2CCN(CCCCNC(=O)c3ccc(Cl)cc3N3CCCC3=O)CC2)c1.
What is the InChIKey of 4-chloro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is PEDDLBWVYJSGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClN4O2/c1-20-6-4-7-22(18-20)30-16-14-29(15-17-30)12-3-2-11-28-26(33)23-10-9-21(27)19-24(23)31-13-5-8-25(31)32/h4,6-7,9-10,18-19H,2-3,5,8,11-17H2,1H3,(H,28,33).
What are the key properties of 4-chloro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
4-chloro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 469.03 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 34249962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).