(4-benzylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone

C22H23N3O — CID 17462290

IUPAC(4-benzylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
SMILESO=C(c1cccc(-n2cccc2)c1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H23N3O/c26-22(20-9-6-10-21(17-20)24-11-4-5-12-24)25-15-13-23(14-16-25)18-19-7-2-1-3-8-19/h1-12,17H,13-16,18H2
InChIKeyPFPGMODINIVBRQ-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.44
Rot. Bonds4

About (4-benzylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone

(4-benzylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone (PubChem CID 17462290) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
PubChem CID17462290
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name(4-benzylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
SMILESO=C(c1cccc(-n2cccc2)c1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H23N3O/c26-22(20-9-6-10-21(17-20)24-11-4-5-12-24)25-15-13-23(14-16-25)18-19-7-2-1-3-8-19/h1-12,17H,13-16,18H2
InChIKeyPFPGMODINIVBRQ-UHFFFAOYSA-N
XLogP3.44
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-benzylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone 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

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-methyl-3-pyrrol-1-ylbenzamide
CID 17392035
(3-aminophenyl)-(4-benzylpiperazin-1-yl)methanone;dihydrochloride
CID 119826758
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone
CID 9225941
(4-phenylmethoxypiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 55460591
(4-benzyl-1,4-diazepan-1-yl)-(3-bromophenyl)methanone
CID 23765712
[4-(furan-3-carbonyl)piperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone
CID 32532603
1-morpholin-4-yl-2-[4-(3-pyrrol-1-ylbenzoyl)piperazin-1-yl]ethanone
CID 17402282
(4-methylsulfonylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 39346910
3-(4-benzylpiperazine-1-carbonyl)-N-butyl-N-methylbenzamide
CID 109055636
3-(4-benzylpiperazine-1-carbonyl)-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 27671245
4-(4-benzylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 110600792
3-[[4-(3,5-dichlorobenzoyl)piperazin-1-yl]methyl]benzoic acid
CID 122028664

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone (CID 17462290) is (4-benzylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone is O=C(c1cccc(-n2cccc2)c1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone?
The InChIKey is PFPGMODINIVBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c26-22(20-9-6-10-21(17-20)24-11-4-5-12-24)25-15-13-23(14-16-25)18-19-7-2-1-3-8-19/h1-12,17H,13-16,18H2.
What are the key properties of (4-benzylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone?
(4-benzylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone has a molecular weight of 345.45 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone is sourced from PubChem (CID 17462290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).