1-[4-(4-acetyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one

C20H23N3O3 — CID 51126331

IUPAC1-[4-(4-acetyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESCC(=O)c1c[nH]c(C(=O)N2CCN(C(=O)CCc3ccccc3)CC2)c1
InChIInChI=1S/C20H23N3O3/c1-15(24)17-13-18(21-14-17)20(26)23-11-9-22(10-12-23)19(25)8-7-16-5-3-2-4-6-16/h2-6,13-14,21H,7-12H2,1H3
InChIKeyHHZHYHGHGFLFLZ-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.13
Rot. Bonds5

About 1-[4-(4-acetyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one

1-[4-(4-acetyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 51126331) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-[4-(4-acetyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(4-acetyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one
PubChem CID51126331
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-[4-(4-acetyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESCC(=O)c1c[nH]c(C(=O)N2CCN(C(=O)CCc3ccccc3)CC2)c1
InChIInChI=1S/C20H23N3O3/c1-15(24)17-13-18(21-14-17)20(26)23-11-9-22(10-12-23)19(25)8-7-16-5-3-2-4-6-16/h2-6,13-14,21H,7-12H2,1H3
InChIKeyHHZHYHGHGFLFLZ-UHFFFAOYSA-N
XLogP2.13
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(azocane-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 51073647
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 110364923
1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 48866980
3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 48867078
1-[4-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 71946719
3-phenyl-N-[1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carbonyl]piperidin-4-yl]propanamide
CID 47056405
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 108536427
ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 90907944
1-[5-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 134062277
1-(4-benzoylpiperazin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 18121411
1-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 110802741
1-[5-[4-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 54878244

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-(4-acetyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one (CID 51126331) is 1-[4-(4-acetyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(4-acetyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-(4-acetyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one is CC(=O)c1c[nH]c(C(=O)N2CCN(C(=O)CCc3ccccc3)CC2)c1.
What is the InChIKey of 1-[4-(4-acetyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one?
The InChIKey is HHZHYHGHGFLFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-15(24)17-13-18(21-14-17)20(26)23-11-9-22(10-12-23)19(25)8-7-16-5-3-2-4-6-16/h2-6,13-14,21H,7-12H2,1H3.
What are the key properties of 1-[4-(4-acetyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one?
1-[4-(4-acetyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one has a molecular weight of 353.42 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 51126331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).