1-[5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carbonyl]piperidine-4-carboxamide

C25H26ClN3O2 — CID 42785626

IUPAC1-[5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carbonyl]piperidine-4-carboxamide
SMILESCc1ccc(-n2c(-c3ccc(Cl)cc3)cc(C(=O)N3CCC(C(N)=O)CC3)c2C)cc1
InChIInChI=1S/C25H26ClN3O2/c1-16-3-9-21(10-4-16)29-17(2)22(15-23(29)18-5-7-20(26)8-6-18)25(31)28-13-11-19(12-14-28)24(27)30/h3-10,15,19H,11-14H2,1-2H3,(H2,27,30)
InChIKeyBHSRSJORAQNKCM-UHFFFAOYSA-N
MW435.96 g/mol
LogP4.75
Rot. Bonds4

About 1-[5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carbonyl]piperidine-4-carboxamide

1-[5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carbonyl]piperidine-4-carboxamide (PubChem CID 42785626) has the molecular formula C25H26ClN3O2 and a molecular weight of 435.96 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carbonyl]piperidine-4-carboxamide
PubChem CID42785626
Molecular FormulaC25H26ClN3O2
Molecular Weight435.96 g/mol
Exact Mass435.17
IUPAC Name1-[5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carbonyl]piperidine-4-carboxamide
SMILESCc1ccc(-n2c(-c3ccc(Cl)cc3)cc(C(=O)N3CCC(C(N)=O)CC3)c2C)cc1
InChIInChI=1S/C25H26ClN3O2/c1-16-3-9-21(10-4-16)29-17(2)22(15-23(29)18-5-7-20(26)8-6-18)25(31)28-13-11-19(12-14-28)24(27)30/h3-10,15,19H,11-14H2,1-2H3,(H2,27,30)
InChIKeyBHSRSJORAQNKCM-UHFFFAOYSA-N
XLogP4.75
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.96
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 7213876
[5-(4-chlorophenyl)-2-methyl-1-(2-methylphenyl)pyrrol-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 7213356
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
1-[4-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-methylpyrrole-3-carbonyl]piperazin-1-yl]propan-1-one
CID 3486624
[5-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-methylpyrrol-3-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42785656
[4-[5-(4-chlorophenyl)-2-methyl-1-(2-methylphenyl)pyrrole-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
CID 3990372
1-(2-bromo-5-methylbenzoyl)piperidine-4-carboxamide
CID 80948959
[4-[5-(4-chlorophenyl)-2-methyl-1-(3-methylphenyl)pyrrole-3-carbonyl]piperazin-1-yl]-phenylmethanone
CID 3899954
5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide
CID 7212618
N-(2,4-dichlorophenyl)-4-[5-(4-fluorophenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carbonyl]piperazine-1-carboxamide
CID 3468122
4-[5-(4-fluorophenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
CID 42791698
[4-[5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carbonyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 42792027

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carbonyl]piperidine-4-carboxamide (CID 42785626) is 1-[5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carbonyl]piperidine-4-carboxamide is Cc1ccc(-n2c(-c3ccc(Cl)cc3)cc(C(=O)N3CCC(C(N)=O)CC3)c2C)cc1.
What is the InChIKey of 1-[5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is BHSRSJORAQNKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O2/c1-16-3-9-21(10-4-16)29-17(2)22(15-23(29)18-5-7-20(26)8-6-18)25(31)28-13-11-19(12-14-28)24(27)30/h3-10,15,19H,11-14H2,1-2H3,(H2,27,30).
What are the key properties of 1-[5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carbonyl]piperidine-4-carboxamide?
1-[5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 435.96 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 42785626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).