4-acetyl-1-methyl-N-(3-piperazin-1-ylpropyl)pyrrole-2-carboxamide

C15H24N4O2 — CID 119391773

IUPAC4-acetyl-1-methyl-N-(3-piperazin-1-ylpropyl)pyrrole-2-carboxamide
SMILESCC(=O)c1cc(C(=O)NCCCN2CCNCC2)n(C)c1
InChIInChI=1S/C15H24N4O2/c1-12(20)13-10-14(18(2)11-13)15(21)17-4-3-7-19-8-5-16-6-9-19/h10-11,16H,3-9H2,1-2H3,(H,17,21)
InChIKeyYTJVQDBQUHYSQO-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.25
Rot. Bonds6

About 4-acetyl-1-methyl-N-(3-piperazin-1-ylpropyl)pyrrole-2-carboxamide

4-acetyl-1-methyl-N-(3-piperazin-1-ylpropyl)pyrrole-2-carboxamide (PubChem CID 119391773) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-acetyl-1-methyl-N-(3-piperazin-1-ylpropyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-1-methyl-N-(3-piperazin-1-ylpropyl)pyrrole-2-carboxamide
PubChem CID119391773
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name4-acetyl-1-methyl-N-(3-piperazin-1-ylpropyl)pyrrole-2-carboxamide
SMILESCC(=O)c1cc(C(=O)NCCCN2CCNCC2)n(C)c1
InChIInChI=1S/C15H24N4O2/c1-12(20)13-10-14(18(2)11-13)15(21)17-4-3-7-19-8-5-16-6-9-19/h10-11,16H,3-9H2,1-2H3,(H,17,21)
InChIKeyYTJVQDBQUHYSQO-UHFFFAOYSA-N
XLogP0.25
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-acetyl-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide
CID 86915188
4-acetyl-1-methyl-N-[3-(methylamino)propyl]pyrrole-2-carboxamide
CID 119430794
4-acetyl-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide
CID 119390974
4-acetyl-1-methyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide;hydrochloride
CID 119534734
4-acetyl-1-methyl-N-piperidin-4-ylpyrrole-2-carboxamide
CID 119387080
4-acetyl-N-[3-(2-hydroxyethoxy)propyl]-1-methylpyrrole-2-carboxamide
CID 103993134
3-tert-butyl-1-methyl-N-(3-piperazin-1-ylpropyl)pyrazole-5-carboxamide
CID 119393784
4-bromo-1-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrrole-2-carboxamide
CID 60712476
3-hydroxy-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443390
1-methyl-5-nitro-N-(3-piperazin-1-ylpropyl)pyrrole-2-carboxamide
CID 43443335
4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119390904
4-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]-2-methylbutanoic acid
CID 80538491

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-1-methyl-N-(3-piperazin-1-ylpropyl)pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-1-methyl-N-(3-piperazin-1-ylpropyl)pyrrole-2-carboxamide (CID 119391773) is 4-acetyl-1-methyl-N-(3-piperazin-1-ylpropyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-1-methyl-N-(3-piperazin-1-ylpropyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-1-methyl-N-(3-piperazin-1-ylpropyl)pyrrole-2-carboxamide is CC(=O)c1cc(C(=O)NCCCN2CCNCC2)n(C)c1.
What is the InChIKey of 4-acetyl-1-methyl-N-(3-piperazin-1-ylpropyl)pyrrole-2-carboxamide?
The InChIKey is YTJVQDBQUHYSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-12(20)13-10-14(18(2)11-13)15(21)17-4-3-7-19-8-5-16-6-9-19/h10-11,16H,3-9H2,1-2H3,(H,17,21).
What are the key properties of 4-acetyl-1-methyl-N-(3-piperazin-1-ylpropyl)pyrrole-2-carboxamide?
4-acetyl-1-methyl-N-(3-piperazin-1-ylpropyl)pyrrole-2-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-1-methyl-N-(3-piperazin-1-ylpropyl)pyrrole-2-carboxamide is sourced from PubChem (CID 119391773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).