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

C17H19N3O2 — CID 39314575

IUPAC1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cccc(-n3cccc3)c2)CC1
InChIInChI=1S/C17H19N3O2/c18-16(21)13-6-10-20(11-7-13)17(22)14-4-3-5-15(12-14)19-8-1-2-9-19/h1-5,8-9,12-13H,6-7,10-11H2,(H2,18,21)
InChIKeyGPFZBNDNNMVVAT-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.81
Rot. Bonds3

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

1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide (PubChem CID 39314575) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide
PubChem CID39314575
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cccc(-n3cccc3)c2)CC1
InChIInChI=1S/C17H19N3O2/c18-16(21)13-6-10-20(11-7-13)17(22)14-4-3-5-15(12-14)19-8-1-2-9-19/h1-5,8-9,12-13H,6-7,10-11H2,(H2,18,21)
InChIKeyGPFZBNDNNMVVAT-UHFFFAOYSA-N
XLogP1.81
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxylate
CID 35512692
1-(3-pyrrol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63031103
1-[3-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carboxamide
CID 7686132
1-[3-(2-aminoethyl)benzoyl]piperidine-4-carboxamide
CID 62593665
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(3-pyrrol-1-ylphenyl)methanone
CID 25355501
1-[3-(chloromethyl)benzoyl]piperidine-4-carboxamide
CID 43333364
[4-(furan-3-carbonyl)piperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone
CID 32532603
(4-phenylmethoxypiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 55460591
(4-methylsulfonylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 39346910
(3-amino-5-methylpiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 166245161
1-(4-imidazol-1-yl-3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide
CID 92576980
(1,1-dioxo-1,3-thiazolidin-3-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 175337539

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide (CID 39314575) is 1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2cccc(-n3cccc3)c2)CC1.
What is the InChIKey of 1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide?
The InChIKey is GPFZBNDNNMVVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c18-16(21)13-6-10-20(11-7-13)17(22)14-4-3-5-15(12-14)19-8-1-2-9-19/h1-5,8-9,12-13H,6-7,10-11H2,(H2,18,21).
What are the key properties of 1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide?
1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 39314575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).