N-hydroxy-1-[1-(4-phenylbenzoyl)piperidin-4-yl]triazole-4-carboxamide

C21H21N5O3 — CID 171348403

IUPACN-hydroxy-1-[1-(4-phenylbenzoyl)piperidin-4-yl]triazole-4-carboxamide
SMILESO=C(NO)c1cn(C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)nn1
InChIInChI=1S/C21H21N5O3/c27-20(23-29)19-14-26(24-22-19)18-10-12-25(13-11-18)21(28)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,14,18,29H,10-13H2,(H,23,27)
InChIKeyDOOGUAFDPRKTDE-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.54
Rot. Bonds4

About N-hydroxy-1-[1-(4-phenylbenzoyl)piperidin-4-yl]triazole-4-carboxamide

N-hydroxy-1-[1-(4-phenylbenzoyl)piperidin-4-yl]triazole-4-carboxamide (PubChem CID 171348403) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-hydroxy-1-[1-(4-phenylbenzoyl)piperidin-4-yl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-[1-(4-phenylbenzoyl)piperidin-4-yl]triazole-4-carboxamide
PubChem CID171348403
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC NameN-hydroxy-1-[1-(4-phenylbenzoyl)piperidin-4-yl]triazole-4-carboxamide
SMILESO=C(NO)c1cn(C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)nn1
InChIInChI=1S/C21H21N5O3/c27-20(23-29)19-14-26(24-22-19)18-10-12-25(13-11-18)21(28)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,14,18,29H,10-13H2,(H,23,27)
InChIKeyDOOGUAFDPRKTDE-UHFFFAOYSA-N
XLogP2.54
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-1-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 26404892
1-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-cyclopentyltriazole-4-carboxamide
CID 26361027
(4-chlorophenyl)-[4-[4-(5,6-diphenyl-1,2,4-triazin-3-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 46191520
(4-methoxyphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121149874
N-hydroxy-7-(4-phenylbenzoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 53390842
N-benzoyl-4-(4-phenyltriazol-1-yl)piperidine-1-carboxamide
CID 31134393
N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide
CID 108549483
[4-(methylamino)piperidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119563632
1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-propan-2-yltriazole-4-carboxamide
CID 42192175
(4-tert-butylphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150086
1-[1-(4-fluoro-3-methoxybenzoyl)piperidin-4-yl]triazole-4-carboxylic acid
CID 154744260
1-(1-acetylpiperidin-4-yl)triazole-4-carbohydrazide
CID 135077480

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-[1-(4-phenylbenzoyl)piperidin-4-yl]triazole-4-carboxamide?
The IUPAC name of N-hydroxy-1-[1-(4-phenylbenzoyl)piperidin-4-yl]triazole-4-carboxamide (CID 171348403) is N-hydroxy-1-[1-(4-phenylbenzoyl)piperidin-4-yl]triazole-4-carboxamide.
What is the SMILES notation for N-hydroxy-1-[1-(4-phenylbenzoyl)piperidin-4-yl]triazole-4-carboxamide?
The canonical SMILES for N-hydroxy-1-[1-(4-phenylbenzoyl)piperidin-4-yl]triazole-4-carboxamide is O=C(NO)c1cn(C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)nn1.
What is the InChIKey of N-hydroxy-1-[1-(4-phenylbenzoyl)piperidin-4-yl]triazole-4-carboxamide?
The InChIKey is DOOGUAFDPRKTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c27-20(23-29)19-14-26(24-22-19)18-10-12-25(13-11-18)21(28)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,14,18,29H,10-13H2,(H,23,27).
What are the key properties of N-hydroxy-1-[1-(4-phenylbenzoyl)piperidin-4-yl]triazole-4-carboxamide?
N-hydroxy-1-[1-(4-phenylbenzoyl)piperidin-4-yl]triazole-4-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-[1-(4-phenylbenzoyl)piperidin-4-yl]triazole-4-carboxamide is sourced from PubChem (CID 171348403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).