N-(3,5-dimethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide

C16H21N5O3 — CID 119673884

IUPACN-(3,5-dimethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2cn(C3CCNCC3)nn2)cc(OC)c1
InChIInChI=1S/C16H21N5O3/c1-23-13-7-11(8-14(9-13)24-2)18-16(22)15-10-21(20-19-15)12-3-5-17-6-4-12/h7-10,12,17H,3-6H2,1-2H3,(H,18,22)
InChIKeyGSFFUPUDCWTAHS-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.47
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide

N-(3,5-dimethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119673884) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119673884
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC NameN-(3,5-dimethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2cn(C3CCNCC3)nn2)cc(OC)c1
InChIInChI=1S/C16H21N5O3/c1-23-13-7-11(8-14(9-13)24-2)18-16(22)15-10-21(20-19-15)12-3-5-17-6-4-12/h7-10,12,17H,3-6H2,1-2H3,(H,18,22)
InChIKeyGSFFUPUDCWTAHS-UHFFFAOYSA-N
XLogP1.47
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-piperidin-4-yl-N-(3,4,5-trifluorophenyl)triazole-4-carboxamide
CID 119707993
N-(3-bromo-4-methoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119770027
N-(4-methoxy-2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119709473
N-[2-(3,5-dimethoxyphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119822603
N-(3-phenoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673234
N-(3,4-dichlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419668
N-(3-bromo-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119704614
methyl 3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
CID 119679642
1-piperidin-4-yl-N-[(2,4,6-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119733849
N-(3,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673598
N-[3-(2-methylpropoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419672
1-piperidin-4-yl-N-(4-pyridin-4-yloxyphenyl)triazole-4-carboxamide
CID 119867835

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide (CID 119673884) is N-(3,5-dimethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide is COc1cc(NC(=O)c2cn(C3CCNCC3)nn2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is GSFFUPUDCWTAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-23-13-7-11(8-14(9-13)24-2)18-16(22)15-10-21(20-19-15)12-3-5-17-6-4-12/h7-10,12,17H,3-6H2,1-2H3,(H,18,22).
What are the key properties of N-(3,5-dimethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide?
N-(3,5-dimethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119673884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).