[5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methylpyrrol-3-yl]-piperidin-1-ylmethanone

C24H25ClN2O2 — CID 7213262

IUPAC[5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methylpyrrol-3-yl]-piperidin-1-ylmethanone
SMILESCOc1ccccc1-n1c(-c2ccc(Cl)cc2)cc(C(=O)N2CCCCC2)c1C
InChIInChI=1S/C24H25ClN2O2/c1-17-20(24(28)26-14-6-3-7-15-26)16-22(18-10-12-19(25)13-11-18)27(17)21-8-4-5-9-23(21)29-2/h4-5,8-13,16H,3,6-7,14-15H2,1-2H3
InChIKeySEIXWBJPBRKQAX-UHFFFAOYSA-N
MW408.93 g/mol
LogP5.74
Rot. Bonds4

About [5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methylpyrrol-3-yl]-piperidin-1-ylmethanone

[5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methylpyrrol-3-yl]-piperidin-1-ylmethanone (PubChem CID 7213262) has the molecular formula C24H25ClN2O2 and a molecular weight of 408.93 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methylpyrrol-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methylpyrrol-3-yl]-piperidin-1-ylmethanone
PubChem CID7213262
Molecular FormulaC24H25ClN2O2
Molecular Weight408.93 g/mol
Exact Mass408.16
IUPAC Name[5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methylpyrrol-3-yl]-piperidin-1-ylmethanone
SMILESCOc1ccccc1-n1c(-c2ccc(Cl)cc2)cc(C(=O)N2CCCCC2)c1C
InChIInChI=1S/C24H25ClN2O2/c1-17-20(24(28)26-14-6-3-7-15-26)16-22(18-10-12-19(25)13-11-18)27(17)21-8-4-5-9-23(21)29-2/h4-5,8-13,16H,3,6-7,14-15H2,1-2H3
InChIKeySEIXWBJPBRKQAX-UHFFFAOYSA-N
XLogP5.74
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.93
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Related Compounds

[1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methylpyrrol-3-yl]-pyrrolidin-1-ylmethanone
CID 7231060
5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methyl-N-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide
CID 46126596
1-[4-[5-(4-chlorophenyl)-1-(2-fluorophenyl)-2-methylpyrrole-3-carbonyl]piperazin-1-yl]ethanone
CID 24718477
N-[(2R)-butan-2-yl]-5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 7295044
[1-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-2-methylpyrrol-3-yl]-piperidin-1-ylmethanone
CID 42785550
[4-[5-(4-chlorophenyl)-2-methyl-1-(2-methylphenyl)pyrrole-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
CID 3990372
[5-(4-chlorophenyl)-2-methyl-1-(2-methylphenyl)pyrrol-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 7213356
[5-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-methylpyrrol-3-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 42785655
(3-chlorophenyl)-[4-[1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carbonyl]piperazin-1-yl]methanone
CID 42666443
cyclohexyl-[4-[1-(2-fluorophenyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carbonyl]piperazin-1-yl]methanone
CID 42791959
(4-benzhydrylpiperazin-1-yl)-[5-(4-chlorophenyl)-1-(2-fluorophenyl)-2-methylpyrrol-3-yl]methanone
CID 46126567
4-[1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carbonyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 3918874

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methylpyrrol-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methylpyrrol-3-yl]-piperidin-1-ylmethanone (CID 7213262) is [5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methylpyrrol-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methylpyrrol-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methylpyrrol-3-yl]-piperidin-1-ylmethanone is COc1ccccc1-n1c(-c2ccc(Cl)cc2)cc(C(=O)N2CCCCC2)c1C.
What is the InChIKey of [5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methylpyrrol-3-yl]-piperidin-1-ylmethanone?
The InChIKey is SEIXWBJPBRKQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O2/c1-17-20(24(28)26-14-6-3-7-15-26)16-22(18-10-12-19(25)13-11-18)27(17)21-8-4-5-9-23(21)29-2/h4-5,8-13,16H,3,6-7,14-15H2,1-2H3.
What are the key properties of [5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methylpyrrol-3-yl]-piperidin-1-ylmethanone?
[5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methylpyrrol-3-yl]-piperidin-1-ylmethanone has a molecular weight of 408.93 g/mol, XLogP of 5.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methylpyrrol-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 7213262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).