N-(4-methoxyphenyl)-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-4-carboxamide

C23H24N4O3 — CID 53004626

IUPACN-(4-methoxyphenyl)-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(C(=O)c3cccn3-c3cccnc3)CC2)cc1
InChIInChI=1S/C23H24N4O3/c1-30-20-8-6-18(7-9-20)25-22(28)17-10-14-26(15-11-17)23(29)21-5-3-13-27(21)19-4-2-12-24-16-19/h2-9,12-13,16-17H,10-11,14-15H2,1H3,(H,25,28)
InChIKeyQEQWTXDIEHBALK-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.37
Rot. Bonds5

About N-(4-methoxyphenyl)-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-4-carboxamide

N-(4-methoxyphenyl)-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-4-carboxamide (PubChem CID 53004626) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-4-carboxamide
PubChem CID53004626
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-(4-methoxyphenyl)-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(C(=O)c3cccn3-c3cccnc3)CC2)cc1
InChIInChI=1S/C23H24N4O3/c1-30-20-8-6-18(7-9-20)25-22(28)17-10-14-26(15-11-17)23(29)21-5-3-13-27(21)19-4-2-12-24-16-19/h2-9,12-13,16-17H,10-11,14-15H2,1H3,(H,25,28)
InChIKeyQEQWTXDIEHBALK-UHFFFAOYSA-N
XLogP3.37
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113007512
N-(2-methoxy-5-methylphenyl)-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-4-carboxamide
CID 53024421
1-(cyclobutanecarbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 113007524
N-[(2,5-dimethoxyphenyl)methyl]-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-3-carboxamide
CID 50765425
N-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145697
N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223122
N-(4-tert-butylphenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 113006982
1-(5-cyclopenta-2,4-dien-1-yl-1-phenylpyrazole-4-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 140907568
N-(4-piperidin-1-ylphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 37070969
4-N-(4-methoxyphenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 46428723
1-(1-acetylpiperidin-4-yl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 42693365
1-(3-chlorophenyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 17152909

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-4-carboxamide (CID 53004626) is N-(4-methoxyphenyl)-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(C(=O)c3cccn3-c3cccnc3)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is QEQWTXDIEHBALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-30-20-8-6-18(7-9-20)25-22(28)17-10-14-26(15-11-17)23(29)21-5-3-13-27(21)19-4-2-12-24-16-19/h2-9,12-13,16-17H,10-11,14-15H2,1H3,(H,25,28).
What are the key properties of N-(4-methoxyphenyl)-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-4-carboxamide?
N-(4-methoxyphenyl)-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 53004626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).