[4-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone;hydrochloride

C20H24Cl2N4O2 — CID 120803298

IUPAC[4-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone;hydrochloride
SMILESCl.O=C(c1cc(C(=O)N2CCNCC2c2cccc(Cl)c2)c[nH]1)N1CCCC1
InChIInChI=1S/C20H23ClN4O2.ClH/c21-16-5-3-4-14(10-16)18-13-22-6-9-25(18)19(26)15-11-17(23-12-15)20(27)24-7-1-2-8-24;/h3-5,10-12,18,22-23H,1-2,6-9,13H2;1H
InChIKeyTUKZZBGVNXJVQK-UHFFFAOYSA-N
MW423.34 g/mol
LogP3.11
Rot. Bonds3

About [4-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone;hydrochloride

[4-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone;hydrochloride (PubChem CID 120803298) has the molecular formula C20H24Cl2N4O2 and a molecular weight of 423.34 g/mol. Its IUPAC name is [4-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone;hydrochloride
PubChem CID120803298
Molecular FormulaC20H24Cl2N4O2
Molecular Weight423.34 g/mol
Exact Mass422.13
IUPAC Name[4-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone;hydrochloride
SMILESCl.O=C(c1cc(C(=O)N2CCNCC2c2cccc(Cl)c2)c[nH]1)N1CCCC1
InChIInChI=1S/C20H23ClN4O2.ClH/c21-16-5-3-4-14(10-16)18-13-22-6-9-25(18)19(26)15-11-17(23-12-15)20(27)24-7-1-2-8-24;/h3-5,10-12,18,22-23H,1-2,6-9,13H2;1H
InChIKeyTUKZZBGVNXJVQK-UHFFFAOYSA-N
XLogP3.11
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.34
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-chlorophenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 120802374
1-[4-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one
CID 120802746
[2-(3-chlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 120803370
[2-(3-chlorophenyl)piperazin-1-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone;hydrochloride
CID 120803568
[2-(3-chlorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone;dihydrochloride
CID 120802029
[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
[2-(3-chlorophenyl)piperazin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone;hydrochloride
CID 120802367
[2-(3-chlorophenyl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone;hydrochloride
CID 120802841
[2-(3-chlorophenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120802183
1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 120802376
[2-(3-chlorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 120801994

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone;hydrochloride?
The IUPAC name of [4-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone;hydrochloride (CID 120803298) is [4-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone;hydrochloride.
What is the SMILES notation for [4-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone;hydrochloride?
The canonical SMILES for [4-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone;hydrochloride is Cl.O=C(c1cc(C(=O)N2CCNCC2c2cccc(Cl)c2)c[nH]1)N1CCCC1.
What is the InChIKey of [4-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone;hydrochloride?
The InChIKey is TUKZZBGVNXJVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2.ClH/c21-16-5-3-4-14(10-16)18-13-22-6-9-25(18)19(26)15-11-17(23-12-15)20(27)24-7-1-2-8-24;/h3-5,10-12,18,22-23H,1-2,6-9,13H2;1H.
What are the key properties of [4-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone;hydrochloride?
[4-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone;hydrochloride has a molecular weight of 423.34 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 120803298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).