(2,3-dichlorophenyl)-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone

C16H15Cl2N3O2 — CID 86996550

IUPAC(2,3-dichlorophenyl)-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc[nH]1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C16H15Cl2N3O2/c17-12-4-1-3-11(14(12)18)15(22)20-7-9-21(10-8-20)16(23)13-5-2-6-19-13/h1-6,19H,7-10H2
InChIKeySQAOACXRZBQDKR-UHFFFAOYSA-N
MW352.22 g/mol
LogP2.92
Rot. Bonds2

About (2,3-dichlorophenyl)-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone

(2,3-dichlorophenyl)-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 86996550) has the molecular formula C16H15Cl2N3O2 and a molecular weight of 352.22 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone
PubChem CID86996550
Molecular FormulaC16H15Cl2N3O2
Molecular Weight352.22 g/mol
Exact Mass351.05
IUPAC Name(2,3-dichlorophenyl)-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc[nH]1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C16H15Cl2N3O2/c17-12-4-1-3-11(14(12)18)15(22)20-7-9-21(10-8-20)16(23)13-5-2-6-19-13/h1-6,19H,7-10H2
InChIKeySQAOACXRZBQDKR-UHFFFAOYSA-N
XLogP2.92
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-dichlorophenyl)-morpholin-4-ylmethanone
CID 1247473
(2,4-dichlorophenyl)-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110809203
(2,3-dichlorophenyl)-[4-(4H-furo[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]methanone
CID 71911446
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 51211814
(2,3-dichlorophenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 47070210
(2,3-dichlorophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 18115100
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119287862
2,3-dihydro-1,4-benzodioxin-5-yl-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone
CID 91788683
1H-pyrrol-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone
CID 110815571
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(2,3-dichlorophenyl)methanone
CID 19294950
(3-bromophenyl)-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone
CID 55748861
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
CID 119287866

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (2,3-dichlorophenyl)-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone (CID 86996550) is (2,3-dichlorophenyl)-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,3-dichlorophenyl)-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone is O=C(c1ccc[nH]1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of (2,3-dichlorophenyl)-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is SQAOACXRZBQDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2/c17-12-4-1-3-11(14(12)18)15(22)20-7-9-21(10-8-20)16(23)13-5-2-6-19-13/h1-6,19H,7-10H2.
What are the key properties of (2,3-dichlorophenyl)-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone?
(2,3-dichlorophenyl)-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 352.22 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 86996550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).