1-(4-imidazol-1-yl-3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide

C20H21N5O2 — CID 92576980

IUPAC1-(4-imidazol-1-yl-3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccc(-n3ccnc3)c(-n3cccc3)c2)CC1
InChIInChI=1S/C20H21N5O2/c21-19(26)15-5-10-24(11-6-15)20(27)16-3-4-17(25-12-7-22-14-25)18(13-16)23-8-1-2-9-23/h1-4,7-9,12-15H,5-6,10-11H2,(H2,21,26)
InChIKeyOAFSFJBZEOCTMR-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.00
Rot. Bonds4

About 1-(4-imidazol-1-yl-3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide

1-(4-imidazol-1-yl-3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide (PubChem CID 92576980) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-(4-imidazol-1-yl-3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-imidazol-1-yl-3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide
PubChem CID92576980
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name1-(4-imidazol-1-yl-3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccc(-n3ccnc3)c(-n3cccc3)c2)CC1
InChIInChI=1S/C20H21N5O2/c21-19(26)15-5-10-24(11-6-15)20(27)16-3-4-17(25-12-7-22-14-25)18(13-16)23-8-1-2-9-23/h1-4,7-9,12-15H,5-6,10-11H2,(H2,21,26)
InChIKeyOAFSFJBZEOCTMR-UHFFFAOYSA-N
XLogP2.00
TPSA86.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-imidazol-1-ylbenzoyl)pyrrolidine-3-carboxamide
CID 69161890
1-(6-imidazol-1-ylpyridazine-3-carbonyl)piperidine-4-carboxamide
CID 121113995
N-cyclopropyl-4-imidazol-1-yl-3-pyrrol-1-ylbenzamide
CID 92576982
1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide
CID 39314575
4-imidazol-1-yl-N-methyl-3-pyrrol-1-ylbenzamide
CID 46954834
[4-(1-aminoethyl)piperidin-1-yl]-(4-imidazol-1-yl-3-nitrophenyl)methanone
CID 119520295
1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 2935139
(3-imidazol-1-ylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 166209446
1-(1H-indazole-6-carbonyl)piperidine-4-carboxamide
CID 60715180
(3R)-1-N-[(2-imidazol-1-ylphenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94658479
1-(1,3-benzoxazole-6-carbonyl)piperidine-4-carboxamide
CID 110765057
(3-aminopiperidin-1-yl)-(4-imidazol-1-yl-3-nitrophenyl)methanone
CID 119381080

Frequently Asked Questions

What is the IUPAC name of 1-(4-imidazol-1-yl-3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-imidazol-1-yl-3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide (CID 92576980) is 1-(4-imidazol-1-yl-3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-imidazol-1-yl-3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-imidazol-1-yl-3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2ccc(-n3ccnc3)c(-n3cccc3)c2)CC1.
What is the InChIKey of 1-(4-imidazol-1-yl-3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide?
The InChIKey is OAFSFJBZEOCTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c21-19(26)15-5-10-24(11-6-15)20(27)16-3-4-17(25-12-7-22-14-25)18(13-16)23-8-1-2-9-23/h1-4,7-9,12-15H,5-6,10-11H2,(H2,21,26).
What are the key properties of 1-(4-imidazol-1-yl-3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide?
1-(4-imidazol-1-yl-3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-imidazol-1-yl-3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 92576980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).