[2-(3-chlorophenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone

C15H16ClN3O — CID 120802374

IUPAC[2-(3-chlorophenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C15H16ClN3O/c16-12-4-1-3-11(9-12)14-10-17-7-8-19(14)15(20)13-5-2-6-18-13/h1-6,9,14,17-18H,7-8,10H2
InChIKeyXIJQWWVCVRKICV-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.45
Rot. Bonds2

About [2-(3-chlorophenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone

[2-(3-chlorophenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone (PubChem CID 120802374) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is [2-(3-chlorophenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[2-(3-chlorophenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
PubChem CID120802374
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name[2-(3-chlorophenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C15H16ClN3O/c16-12-4-1-3-11(9-12)14-10-17-7-8-19(14)15(20)13-5-2-6-18-13/h1-6,9,14,17-18H,7-8,10H2
InChIKeyXIJQWWVCVRKICV-UHFFFAOYSA-N
XLogP2.45
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 120803298
(2-pyridin-3-ylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone;hydrochloride
CID 120730091
[2-(3-chlorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 120801994
[2-(3-chlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 120803370
[2-(3-chlorophenyl)piperazin-1-yl]-(5-chloro-2-pyridinyl)methanone
CID 120802965
[2-(3-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone
CID 120802294
1-[4-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one
CID 120802746
[2-(3-chlorophenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120802183
[2-(3-chlorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone;dihydrochloride
CID 120802029
5-[2-(3-chlorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride
CID 120802549
7-bicyclo[4.1.0]heptanyl-[2-(3-chlorophenyl)piperazin-1-yl]methanone
CID 120803541
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120803593

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone?
The IUPAC name of [2-(3-chlorophenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone (CID 120802374) is [2-(3-chlorophenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [2-(3-chlorophenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for [2-(3-chlorophenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone is O=C(c1ccc[nH]1)N1CCNCC1c1cccc(Cl)c1.
What is the InChIKey of [2-(3-chlorophenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone?
The InChIKey is XIJQWWVCVRKICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c16-12-4-1-3-11(9-12)14-10-17-7-8-19(14)15(20)13-5-2-6-18-13/h1-6,9,14,17-18H,7-8,10H2.
What are the key properties of [2-(3-chlorophenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone?
[2-(3-chlorophenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone has a molecular weight of 289.77 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 120802374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).