N-butyl-1-(1-phenyltriazole-4-carbonyl)piperidine-4-carboxamide

C19H25N5O2 — CID 86829243

IUPACN-butyl-1-(1-phenyltriazole-4-carbonyl)piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C(=O)c2cn(-c3ccccc3)nn2)CC1
InChIInChI=1S/C19H25N5O2/c1-2-3-11-20-18(25)15-9-12-23(13-10-15)19(26)17-14-24(22-21-17)16-7-5-4-6-8-16/h4-8,14-15H,2-3,9-13H2,1H3,(H,20,25)
InChIKeyXZPHABDWPHNGCD-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.04
Rot. Bonds6

About N-butyl-1-(1-phenyltriazole-4-carbonyl)piperidine-4-carboxamide

N-butyl-1-(1-phenyltriazole-4-carbonyl)piperidine-4-carboxamide (PubChem CID 86829243) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-butyl-1-(1-phenyltriazole-4-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(1-phenyltriazole-4-carbonyl)piperidine-4-carboxamide
PubChem CID86829243
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-butyl-1-(1-phenyltriazole-4-carbonyl)piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C(=O)c2cn(-c3ccccc3)nn2)CC1
InChIInChI=1S/C19H25N5O2/c1-2-3-11-20-18(25)15-9-12-23(13-10-15)19(26)17-14-24(22-21-17)16-7-5-4-6-8-16/h4-8,14-15H,2-3,9-13H2,1H3,(H,20,25)
InChIKeyXZPHABDWPHNGCD-UHFFFAOYSA-N
XLogP2.04
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-propyl-1-[1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]piperidine-4-carboxamide
CID 112819537
(4-aminopiperidin-1-yl)-(1-phenyltriazol-4-yl)methanone
CID 66485052
(4-chlorophenyl)-[1-(1-phenyltriazole-4-carbonyl)piperidin-4-yl]methanone
CID 87043000
N-pentyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-4-carboxamide
CID 55717821
N-butyl-1-(3-phenylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 86985184
1-(5-ethyl-1H-pyrazole-3-carbonyl)-N-pentylpiperidine-4-carboxamide
CID 78875827
1-(2-aminobenzoyl)-N-pentylpiperidine-4-carboxamide;hydrochloride
CID 119944482
1-(2-anilinobenzoyl)-N-pentylpiperidine-4-carboxamide
CID 39938111
1-(2,2-diphenylacetyl)-N-pentylpiperidine-4-carboxamide
CID 113005595
N-(2-benzamidoethyl)-1-pentanoylpiperidine-4-carboxamide
CID 46103996
[(3R)-3-phenoxypyrrolidin-1-yl]-(1-phenyltriazol-4-yl)methanone
CID 95627869
N-butyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113002679

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(1-phenyltriazole-4-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-butyl-1-(1-phenyltriazole-4-carbonyl)piperidine-4-carboxamide (CID 86829243) is N-butyl-1-(1-phenyltriazole-4-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-(1-phenyltriazole-4-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-(1-phenyltriazole-4-carbonyl)piperidine-4-carboxamide is CCCCNC(=O)C1CCN(C(=O)c2cn(-c3ccccc3)nn2)CC1.
What is the InChIKey of N-butyl-1-(1-phenyltriazole-4-carbonyl)piperidine-4-carboxamide?
The InChIKey is XZPHABDWPHNGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-2-3-11-20-18(25)15-9-12-23(13-10-15)19(26)17-14-24(22-21-17)16-7-5-4-6-8-16/h4-8,14-15H,2-3,9-13H2,1H3,(H,20,25).
What are the key properties of N-butyl-1-(1-phenyltriazole-4-carbonyl)piperidine-4-carboxamide?
N-butyl-1-(1-phenyltriazole-4-carbonyl)piperidine-4-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(1-phenyltriazole-4-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 86829243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).