N-benzyl-4-[2-(1-methylpyrrol-3-yl)acetyl]piperazine-1-carboxamide

C19H24N4O2 — CID 110813034

IUPACN-benzyl-4-[2-(1-methylpyrrol-3-yl)acetyl]piperazine-1-carboxamide
SMILESCn1ccc(CC(=O)N2CCN(C(=O)NCc3ccccc3)CC2)c1
InChIInChI=1S/C19H24N4O2/c1-21-8-7-17(15-21)13-18(24)22-9-11-23(12-10-22)19(25)20-14-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H,20,25)
InChIKeyPCCRKVUVJCVGAY-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.62
Rot. Bonds4

About N-benzyl-4-[2-(1-methylpyrrol-3-yl)acetyl]piperazine-1-carboxamide

N-benzyl-4-[2-(1-methylpyrrol-3-yl)acetyl]piperazine-1-carboxamide (PubChem CID 110813034) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-benzyl-4-[2-(1-methylpyrrol-3-yl)acetyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[2-(1-methylpyrrol-3-yl)acetyl]piperazine-1-carboxamide
PubChem CID110813034
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-benzyl-4-[2-(1-methylpyrrol-3-yl)acetyl]piperazine-1-carboxamide
SMILESCn1ccc(CC(=O)N2CCN(C(=O)NCc3ccccc3)CC2)c1
InChIInChI=1S/C19H24N4O2/c1-21-8-7-17(15-21)13-18(24)22-9-11-23(12-10-22)19(25)20-14-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H,20,25)
InChIKeyPCCRKVUVJCVGAY-UHFFFAOYSA-N
XLogP1.62
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-4-[2-(1-methylpyrrol-3-yl)acetyl]piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-benzylpiperazin-1-yl)-2-(1-methylpyrrol-3-yl)ethanone
CID 110768949
N-(2,2-dimethylpropyl)-4-[2-(1-methylpyrrol-3-yl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813882
phenyl 4-[2-(1-methylpyrrol-3-yl)acetyl]piperazine-1-carboxylate
CID 110803602
1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-2-(1-methylpyrrol-3-yl)ethanone
CID 110804329
N-benzyl-4-[2-(2,5-dimethylphenyl)acetyl]piperazine-1-carboxamide
CID 110812883
2-(1-methylpyrrol-3-yl)-1-piperazin-1-ylethanone
CID 82283489
2,2-dimethyl-1-[4-[2-(1-methylpyrrol-3-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110801545
N-benzyl-4-butanoyl-1,4-diazepane-1-carboxamide
CID 110811324
1-[2-(1-methylpyrrol-3-yl)acetyl]piperidin-4-one
CID 82472618
1-[4-[2-(1-methylpyrrol-3-yl)acetyl]piperazin-1-yl]-2-(1H-pyrrol-3-yl)ethanone
CID 110815895
N-benzyl-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide
CID 24664690
N-benzylazonane-1-carboxamide
CID 130689649

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2-(1-methylpyrrol-3-yl)acetyl]piperazine-1-carboxamide?
The IUPAC name of N-benzyl-4-[2-(1-methylpyrrol-3-yl)acetyl]piperazine-1-carboxamide (CID 110813034) is N-benzyl-4-[2-(1-methylpyrrol-3-yl)acetyl]piperazine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-[2-(1-methylpyrrol-3-yl)acetyl]piperazine-1-carboxamide?
The canonical SMILES for N-benzyl-4-[2-(1-methylpyrrol-3-yl)acetyl]piperazine-1-carboxamide is Cn1ccc(CC(=O)N2CCN(C(=O)NCc3ccccc3)CC2)c1.
What is the InChIKey of N-benzyl-4-[2-(1-methylpyrrol-3-yl)acetyl]piperazine-1-carboxamide?
The InChIKey is PCCRKVUVJCVGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-21-8-7-17(15-21)13-18(24)22-9-11-23(12-10-22)19(25)20-14-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H,20,25).
What are the key properties of N-benzyl-4-[2-(1-methylpyrrol-3-yl)acetyl]piperazine-1-carboxamide?
N-benzyl-4-[2-(1-methylpyrrol-3-yl)acetyl]piperazine-1-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[2-(1-methylpyrrol-3-yl)acetyl]piperazine-1-carboxamide is sourced from PubChem (CID 110813034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).