N-(3-acetylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

C17H21N5O2 — CID 119673298

IUPACN-(3-acetylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2nnn(C3CCNCC3)c2C)c1
InChIInChI=1S/C17H21N5O2/c1-11-16(20-21-22(11)15-6-8-18-9-7-15)17(24)19-14-5-3-4-13(10-14)12(2)23/h3-5,10,15,18H,6-9H2,1-2H3,(H,19,24)
InChIKeyFXYRXGDUFAEGFL-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.97
Rot. Bonds4

About N-(3-acetylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

N-(3-acetylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119673298) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119673298
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-(3-acetylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2nnn(C3CCNCC3)c2C)c1
InChIInChI=1S/C17H21N5O2/c1-11-16(20-21-22(11)15-6-8-18-9-7-15)17(24)19-14-5-3-4-13(10-14)12(2)23/h3-5,10,15,18H,6-9H2,1-2H3,(H,19,24)
InChIKeyFXYRXGDUFAEGFL-UHFFFAOYSA-N
XLogP1.97
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-bromophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119670376
5-methyl-N-(3-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670413
N-[3-(difluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119767728
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119699613
N-[3-(methoxymethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119722274
5-methyl-1-piperidin-4-yl-N-(3-propoxyphenyl)triazole-4-carboxamide
CID 119714993
N-(3-fluoro-4-methylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119674362
5-methyl-N-(2-methyl-4-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119832832
N-[3-(difluoromethylsulfonyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119770459
N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670658
N-(3,5-difluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119696872
N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119709833

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (CID 119673298) is N-(3-acetylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is CC(=O)c1cccc(NC(=O)c2nnn(C3CCNCC3)c2C)c1.
What is the InChIKey of N-(3-acetylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is FXYRXGDUFAEGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-11-16(20-21-22(11)15-6-8-18-9-7-15)17(24)19-14-5-3-4-13(10-14)12(2)23/h3-5,10,15,18H,6-9H2,1-2H3,(H,19,24).
What are the key properties of N-(3-acetylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
N-(3-acetylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119673298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).