4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide

C19H24N4O2 — CID 110659634

IUPAC4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
SMILESCc1cc(C(=O)CN2CCN(C(=O)Nc3ccccc3)CC2)c(C)[nH]1
InChIInChI=1S/C19H24N4O2/c1-14-12-17(15(2)20-14)18(24)13-22-8-10-23(11-9-22)19(25)21-16-6-4-3-5-7-16/h3-7,12,20H,8-11,13H2,1-2H3,(H,21,25)
InChIKeyFMCGPKNVEJDOBV-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.66
Rot. Bonds4

About 4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide

4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide (PubChem CID 110659634) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
PubChem CID110659634
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
SMILESCc1cc(C(=O)CN2CCN(C(=O)Nc3ccccc3)CC2)c(C)[nH]1
InChIInChI=1S/C19H24N4O2/c1-14-12-17(15(2)20-14)18(24)13-22-8-10-23(11-9-22)19(25)21-16-6-4-3-5-7-16/h3-7,12,20H,8-11,13H2,1-2H3,(H,21,25)
InChIKeyFMCGPKNVEJDOBV-UHFFFAOYSA-N
XLogP2.66
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 110659385
4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]-N-phenyl-1,4-diazepane-1-carboxamide
CID 110813956
1-[4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 37405634
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone
CID 63296935
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-hydroxypiperidin-1-yl)ethanone
CID 60712935
2-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
CID 110659646
N-phenyl-4-propylpiperazine-1-carboxamide
CID 17383007
2-(4-butan-2-ylpiperazin-1-yl)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
CID 62775217
N-phenyl-4-prop-2-enylpiperazine-1-carboxamide
CID 23822231
4-(2,2-dimethylpropyl)-N-phenylpiperazine-1-carboxamide
CID 110290716
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanone
CID 62734991
4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17397265

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide (CID 110659634) is 4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide is Cc1cc(C(=O)CN2CCN(C(=O)Nc3ccccc3)CC2)c(C)[nH]1.
What is the InChIKey of 4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is FMCGPKNVEJDOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-12-17(15(2)20-14)18(24)13-22-8-10-23(11-9-22)19(25)21-16-6-4-3-5-7-16/h3-7,12,20H,8-11,13H2,1-2H3,(H,21,25).
What are the key properties of 4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide?
4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 110659634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).