[3-(3-chlorophenyl)piperazin-1-yl]-(4-pyrrol-1-yl-2-pyridinyl)methanone

C20H19ClN4O — CID 126818293

IUPAC[3-(3-chlorophenyl)piperazin-1-yl]-(4-pyrrol-1-yl-2-pyridinyl)methanone
SMILESO=C(c1cc(-n2cccc2)ccn1)N1CCNC(c2cccc(Cl)c2)C1
InChIInChI=1S/C20H19ClN4O/c21-16-5-3-4-15(12-16)19-14-25(11-8-23-19)20(26)18-13-17(6-7-22-18)24-9-1-2-10-24/h1-7,9-10,12-13,19,23H,8,11,14H2
InChIKeyBJJJCCBXIGBVQA-UHFFFAOYSA-N
MW366.85 g/mol
LogP3.31
Rot. Bonds3

About [3-(3-chlorophenyl)piperazin-1-yl]-(4-pyrrol-1-yl-2-pyridinyl)methanone

[3-(3-chlorophenyl)piperazin-1-yl]-(4-pyrrol-1-yl-2-pyridinyl)methanone (PubChem CID 126818293) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is [3-(3-chlorophenyl)piperazin-1-yl]-(4-pyrrol-1-yl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(3-chlorophenyl)piperazin-1-yl]-(4-pyrrol-1-yl-2-pyridinyl)methanone
PubChem CID126818293
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name[3-(3-chlorophenyl)piperazin-1-yl]-(4-pyrrol-1-yl-2-pyridinyl)methanone
SMILESO=C(c1cc(-n2cccc2)ccn1)N1CCNC(c2cccc(Cl)c2)C1
InChIInChI=1S/C20H19ClN4O/c21-16-5-3-4-15(12-16)19-14-25(11-8-23-19)20(26)18-13-17(6-7-22-18)24-9-1-2-10-24/h1-7,9-10,12-13,19,23H,8,11,14H2
InChIKeyBJJJCCBXIGBVQA-UHFFFAOYSA-N
XLogP3.31
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanone
CID 166254428
7-[3-(3-chlorophenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429799
(4-phenylpiperazin-1-yl)-(4-pyrrol-1-yl-2-pyridinyl)methanone
CID 71801413
phenyl-(3-phenylpiperazin-1-yl)methanone
CID 82246904
[(3R)-3-(3,4-dichlorophenyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 18664719
[6-[3-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone
CID 90324959
[6-[3-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen
CID 160802202
(2-methylpyrimidin-5-yl)-(3-phenylpiperazin-1-yl)methanone
CID 72886763
5-[3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 166204209
[3-(3-chlorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-(2-chloro-4-pyridinyl)methanone
CID 75259806
5-(3-chlorophenyl)-1-methyl-1,4-diazepane
CID 82287491
[(2S)-2-(2-chlorophenyl)morpholin-4-yl]-(4-chloro-2-pyridinyl)methanone
CID 95296582

Frequently Asked Questions

What is the IUPAC name of [3-(3-chlorophenyl)piperazin-1-yl]-(4-pyrrol-1-yl-2-pyridinyl)methanone?
The IUPAC name of [3-(3-chlorophenyl)piperazin-1-yl]-(4-pyrrol-1-yl-2-pyridinyl)methanone (CID 126818293) is [3-(3-chlorophenyl)piperazin-1-yl]-(4-pyrrol-1-yl-2-pyridinyl)methanone.
What is the SMILES notation for [3-(3-chlorophenyl)piperazin-1-yl]-(4-pyrrol-1-yl-2-pyridinyl)methanone?
The canonical SMILES for [3-(3-chlorophenyl)piperazin-1-yl]-(4-pyrrol-1-yl-2-pyridinyl)methanone is O=C(c1cc(-n2cccc2)ccn1)N1CCNC(c2cccc(Cl)c2)C1.
What is the InChIKey of [3-(3-chlorophenyl)piperazin-1-yl]-(4-pyrrol-1-yl-2-pyridinyl)methanone?
The InChIKey is BJJJCCBXIGBVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c21-16-5-3-4-15(12-16)19-14-25(11-8-23-19)20(26)18-13-17(6-7-22-18)24-9-1-2-10-24/h1-7,9-10,12-13,19,23H,8,11,14H2.
What are the key properties of [3-(3-chlorophenyl)piperazin-1-yl]-(4-pyrrol-1-yl-2-pyridinyl)methanone?
[3-(3-chlorophenyl)piperazin-1-yl]-(4-pyrrol-1-yl-2-pyridinyl)methanone has a molecular weight of 366.85 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chlorophenyl)piperazin-1-yl]-(4-pyrrol-1-yl-2-pyridinyl)methanone is sourced from PubChem (CID 126818293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).