1-(3-chlorophenyl)-4-(1-methylpyrrole-2-carbonyl)piperazin-2-one

C16H16ClN3O2 — CID 70775735

IUPAC1-(3-chlorophenyl)-4-(1-methylpyrrole-2-carbonyl)piperazin-2-one
SMILESCn1cccc1C(=O)N1CCN(c2cccc(Cl)c2)C(=O)C1
InChIInChI=1S/C16H16ClN3O2/c1-18-7-3-6-14(18)16(22)19-8-9-20(15(21)11-19)13-5-2-4-12(17)10-13/h2-7,10H,8-9,11H2,1H3
InChIKeySWGRDVRPHZAPMJ-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.17
Rot. Bonds2

About 1-(3-chlorophenyl)-4-(1-methylpyrrole-2-carbonyl)piperazin-2-one

1-(3-chlorophenyl)-4-(1-methylpyrrole-2-carbonyl)piperazin-2-one (PubChem CID 70775735) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-(1-methylpyrrole-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-(1-methylpyrrole-2-carbonyl)piperazin-2-one
PubChem CID70775735
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name1-(3-chlorophenyl)-4-(1-methylpyrrole-2-carbonyl)piperazin-2-one
SMILESCn1cccc1C(=O)N1CCN(c2cccc(Cl)c2)C(=O)C1
InChIInChI=1S/C16H16ClN3O2/c1-18-7-3-6-14(18)16(22)19-8-9-20(15(21)11-19)13-5-2-4-12(17)10-13/h2-7,10H,8-9,11H2,1H3
InChIKeySWGRDVRPHZAPMJ-UHFFFAOYSA-N
XLogP2.17
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-4-(4,6-dimethylpyridine-3-carbonyl)piperazin-2-one
CID 70774451
1-(3-chlorophenyl)-4-[4-[2-hydroxyethyl(methyl)amino]benzoyl]piperazin-2-one
CID 70720509
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 134062270
1-(3-chlorophenyl)-4-(2-hydroxynaphthalene-1-carbonyl)piperazin-2-one
CID 70711142
1-(3-chlorophenyl)-4-(7-methyl-1-benzofuran-2-carbonyl)piperazin-2-one
CID 70785542
3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one
CID 110692830
4-(3-chlorobenzoyl)-1-phenyl-1,4-diazepan-2-one
CID 110873861
4-[2-(3-chlorophenyl)acetyl]-1-phenylpiperazin-2-one
CID 110708429
1-(3-chlorophenyl)-4-[1-(trifluoromethyl)cyclobutanecarbonyl]piperazin-2-one
CID 171676116
[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 8886506
[1-(3-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazol-5-yl]-morpholin-4-ylmethanone
CID 42758831
1-(3-chlorophenyl)-4-[2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetyl]piperazin-2-one
CID 96582404

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-(1-methylpyrrole-2-carbonyl)piperazin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-4-(1-methylpyrrole-2-carbonyl)piperazin-2-one (CID 70775735) is 1-(3-chlorophenyl)-4-(1-methylpyrrole-2-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-4-(1-methylpyrrole-2-carbonyl)piperazin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-4-(1-methylpyrrole-2-carbonyl)piperazin-2-one is Cn1cccc1C(=O)N1CCN(c2cccc(Cl)c2)C(=O)C1.
What is the InChIKey of 1-(3-chlorophenyl)-4-(1-methylpyrrole-2-carbonyl)piperazin-2-one?
The InChIKey is SWGRDVRPHZAPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c1-18-7-3-6-14(18)16(22)19-8-9-20(15(21)11-19)13-5-2-4-12(17)10-13/h2-7,10H,8-9,11H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-4-(1-methylpyrrole-2-carbonyl)piperazin-2-one?
1-(3-chlorophenyl)-4-(1-methylpyrrole-2-carbonyl)piperazin-2-one has a molecular weight of 317.78 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-(1-methylpyrrole-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 70775735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).