N-[3-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxamide

C24H25N3O3 — CID 72853141

IUPACN-[3-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxamide
SMILESCOc1cccc(-c2cccc(NC(=O)C3CCN(C(=O)c4cc[nH]c4)CC3)c2)c1
InChIInChI=1S/C24H25N3O3/c1-30-22-7-3-5-19(15-22)18-4-2-6-21(14-18)26-23(28)17-9-12-27(13-10-17)24(29)20-8-11-25-16-20/h2-8,11,14-17,25H,9-10,12-13H2,1H3,(H,26,28)
InChIKeyDUBKZNRQUZFUOK-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.18
Rot. Bonds5

About N-[3-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxamide

N-[3-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxamide (PubChem CID 72853141) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[3-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxamide
PubChem CID72853141
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-[3-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxamide
SMILESCOc1cccc(-c2cccc(NC(=O)C3CCN(C(=O)c4cc[nH]c4)CC3)c2)c1
InChIInChI=1S/C24H25N3O3/c1-30-22-7-3-5-19(15-22)18-4-2-6-21(14-18)26-23(28)17-9-12-27(13-10-17)24(29)20-8-11-25-16-20/h2-8,11,14-17,25H,9-10,12-13H2,1H3,(H,26,28)
InChIKeyDUBKZNRQUZFUOK-UHFFFAOYSA-N
XLogP4.18
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylbenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 113007461
methyl 4-[[1-(3-methoxybenzoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008009
N-(4-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 39355313
N-(3-chlorophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 1072800
N-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrazole-4-carbonyl)piperidine-4-carboxamide
CID 171330847
1-(2-fluorobenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 17019052
1-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 46664061
methyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-4-carboxylate
CID 51153861
N-(3-methoxyphenyl)-1H-pyrrole-3-carboxamide
CID 110691156
methyl 2-[[1-[4-(3-methoxyphenyl)benzoyl]piperidine-4-carbonyl]amino]acetate
CID 134801658
N-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-2-carbonyl)piperidine-4-carboxamide
CID 171686778
1-[4-(3-methoxyphenyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 134803034

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxamide (CID 72853141) is N-[3-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxamide is COc1cccc(-c2cccc(NC(=O)C3CCN(C(=O)c4cc[nH]c4)CC3)c2)c1.
What is the InChIKey of N-[3-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is DUBKZNRQUZFUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-30-22-7-3-5-19(15-22)18-4-2-6-21(14-18)26-23(28)17-9-12-27(13-10-17)24(29)20-8-11-25-16-20/h2-8,11,14-17,25H,9-10,12-13H2,1H3,(H,26,28).
What are the key properties of N-[3-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxamide?
N-[3-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 72853141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).