N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C20H30ClN5O2 — CID 119766858

IUPACN-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCOc1c(C)cc(CN(C)C(=O)c2nnn(C3CCNCC3)c2C)cc1C.Cl
InChIInChI=1S/C20H29N5O2.ClH/c1-13-10-16(11-14(2)19(13)27-5)12-24(4)20(26)18-15(3)25(23-22-18)17-6-8-21-9-7-17;/h10-11,17,21H,6-9,12H2,1-5H3;1H
InChIKeyBGBDRYSQFIUHBW-UHFFFAOYSA-N
MW407.95 g/mol
LogP2.83
Rot. Bonds5

About N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119766858) has the molecular formula C20H30ClN5O2 and a molecular weight of 407.95 g/mol. Its IUPAC name is N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119766858
Molecular FormulaC20H30ClN5O2
Molecular Weight407.95 g/mol
Exact Mass407.21
IUPAC NameN-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCOc1c(C)cc(CN(C)C(=O)c2nnn(C3CCNCC3)c2C)cc1C.Cl
InChIInChI=1S/C20H29N5O2.ClH/c1-13-10-16(11-14(2)19(13)27-5)12-24(4)20(26)18-15(3)25(23-22-18)17-6-8-21-9-7-17;/h10-11,17,21H,6-9,12H2,1-5H3;1H
InChIKeyBGBDRYSQFIUHBW-UHFFFAOYSA-N
XLogP2.83
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.95
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119766864
N-[(2-methoxyphenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119681231
N-[(3-fluorophenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119681572
N,5-dimethyl-1-piperidin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 119737494
N-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119799769
5-methyl-1-piperidin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide
CID 119691535
N-butyl-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672305
N-cyclopentyl-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119722097
N,5-dimethyl-1-piperidin-4-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]triazole-4-carboxamide;hydrochloride
CID 119812988
N,5-dimethyl-N-(2-phenoxyethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119680833
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119766902
5-methyl-1-piperidin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119716036

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119766858) is N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is COc1c(C)cc(CN(C)C(=O)c2nnn(C3CCNCC3)c2C)cc1C.Cl.
What is the InChIKey of N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is BGBDRYSQFIUHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2.ClH/c1-13-10-16(11-14(2)19(13)27-5)12-24(4)20(26)18-15(3)25(23-22-18)17-6-8-21-9-7-17;/h10-11,17,21H,6-9,12H2,1-5H3;1H.
What are the key properties of N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 407.95 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119766858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).