1-[2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide

C27H30N4O4 — CID 55933864

IUPAC1-[2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide
SMILESCOc1ccc(-n2c(C)cc(C(=O)Nc3ccccc3C(=O)N3CCC(C(N)=O)CC3)c2C)cc1
InChIInChI=1S/C27H30N4O4/c1-17-16-23(18(2)31(17)20-8-10-21(35-3)11-9-20)26(33)29-24-7-5-4-6-22(24)27(34)30-14-12-19(13-15-30)25(28)32/h4-11,16,19H,12-15H2,1-3H3,(H2,28,32)(H,29,33)
InChIKeyJUYNFWYYAMEQSZ-UHFFFAOYSA-N
MW474.56 g/mol
LogP3.69
Rot. Bonds6

About 1-[2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide

1-[2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide (PubChem CID 55933864) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is 1-[2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide
PubChem CID55933864
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC Name1-[2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide
SMILESCOc1ccc(-n2c(C)cc(C(=O)Nc3ccccc3C(=O)N3CCC(C(N)=O)CC3)c2C)cc1
InChIInChI=1S/C27H30N4O4/c1-17-16-23(18(2)31(17)20-8-10-21(35-3)11-9-20)26(33)29-24-7-5-4-6-22(24)27(34)30-14-12-19(13-15-30)25(28)32/h4-11,16,19H,12-15H2,1-3H3,(H2,28,32)(H,29,33)
InChIKeyJUYNFWYYAMEQSZ-UHFFFAOYSA-N
XLogP3.69
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

(4-aminopiperidin-1-yl)-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone;hydrochloride
CID 119375625
1-[2-[(2-iodo-3-methylbenzoyl)amino]benzoyl]piperidine-4-carboxamide
CID 60544520
1-[2-[(3,4-dimethylbenzoyl)amino]benzoyl]piperidine-4-carboxamide
CID 55645237
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 119412128
[(3R)-3-hydroxypyrrolidin-1-yl]-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 111561461
[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119545610
1-[2-[(5-chloro-2-fluorobenzoyl)amino]benzoyl]piperidine-4-carboxamide
CID 55642498
1-[2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]benzoyl]piperidine-4-carboxamide
CID 55642413
4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide
CID 55376450
N-(3-methoxyphenyl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 34319459
1-(2-chlorobenzoyl)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-4-carboxamide
CID 17223510
4-methoxy-N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119546723

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide (CID 55933864) is 1-[2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide is COc1ccc(-n2c(C)cc(C(=O)Nc3ccccc3C(=O)N3CCC(C(N)=O)CC3)c2C)cc1.
What is the InChIKey of 1-[2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide?
The InChIKey is JUYNFWYYAMEQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-17-16-23(18(2)31(17)20-8-10-21(35-3)11-9-20)26(33)29-24-7-5-4-6-22(24)27(34)30-14-12-19(13-15-30)25(28)32/h4-11,16,19H,12-15H2,1-3H3,(H2,28,32)(H,29,33).
What are the key properties of 1-[2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide?
1-[2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide has a molecular weight of 474.56 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 55933864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).