1-benzyl-2,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrole-3-carboxamide

C26H32N4O — CID 55602871

IUPAC1-benzyl-2,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCCN2CCN(c3ccccc3)CC2)c(C)n1Cc1ccccc1
InChIInChI=1S/C26H32N4O/c1-21-19-25(22(2)30(21)20-23-9-5-3-6-10-23)26(31)27-13-14-28-15-17-29(18-16-28)24-11-7-4-8-12-24/h3-12,19H,13-18,20H2,1-2H3,(H,27,31)
InChIKeyOCZBNJYCOUZERP-UHFFFAOYSA-N
MW416.57 g/mol
LogP3.71
Rot. Bonds7

About 1-benzyl-2,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrole-3-carboxamide

1-benzyl-2,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrole-3-carboxamide (PubChem CID 55602871) has the molecular formula C26H32N4O and a molecular weight of 416.57 g/mol. Its IUPAC name is 1-benzyl-2,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-2,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrole-3-carboxamide
PubChem CID55602871
Molecular FormulaC26H32N4O
Molecular Weight416.57 g/mol
Exact Mass416.26
IUPAC Name1-benzyl-2,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCCN2CCN(c3ccccc3)CC2)c(C)n1Cc1ccccc1
InChIInChI=1S/C26H32N4O/c1-21-19-25(22(2)30(21)20-23-9-5-3-6-10-23)26(31)27-13-14-28-15-17-29(18-16-28)24-11-7-4-8-12-24/h3-12,19H,13-18,20H2,1-2H3,(H,27,31)
InChIKeyOCZBNJYCOUZERP-UHFFFAOYSA-N
XLogP3.71
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2,5-dimethylpyrrole-3-carboxamide
CID 55715544
N-(2-aminoethyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 119383546
2-hydroxy-5-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 46602004
2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 55348355
5-chloro-2-fluoro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 38756062
2-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-3-carboxamide
CID 30899733
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 58358858
1-benzyl-2,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrrole-3-carboxamide
CID 78809512
2-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 747202
2,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224502
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-bromobenzamide
CID 14762566
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885244

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrole-3-carboxamide?
The IUPAC name of 1-benzyl-2,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrole-3-carboxamide (CID 55602871) is 1-benzyl-2,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-benzyl-2,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrole-3-carboxamide?
The canonical SMILES for 1-benzyl-2,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrole-3-carboxamide is Cc1cc(C(=O)NCCN2CCN(c3ccccc3)CC2)c(C)n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrole-3-carboxamide?
The InChIKey is OCZBNJYCOUZERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O/c1-21-19-25(22(2)30(21)20-23-9-5-3-6-10-23)26(31)27-13-14-28-15-17-29(18-16-28)24-11-7-4-8-12-24/h3-12,19H,13-18,20H2,1-2H3,(H,27,31).
What are the key properties of 1-benzyl-2,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrole-3-carboxamide?
1-benzyl-2,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrole-3-carboxamide has a molecular weight of 416.57 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrole-3-carboxamide is sourced from PubChem (CID 55602871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).