N-[(2-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C17H24ClN5O2 — CID 119681238

IUPACN-[(2-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCOc1ccccc1CN(C)C(=O)c1cn(C2CCNCC2)nn1.Cl
InChIInChI=1S/C17H23N5O2.ClH/c1-21(11-13-5-3-4-6-16(13)24-2)17(23)15-12-22(20-19-15)14-7-9-18-10-8-14;/h3-6,12,14,18H,7-11H2,1-2H3;1H
InChIKeyPKACTYHFANKWAZ-UHFFFAOYSA-N
MW365.87 g/mol
LogP1.91
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-[(2-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119681238) has the molecular formula C17H24ClN5O2 and a molecular weight of 365.87 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119681238
Molecular FormulaC17H24ClN5O2
Molecular Weight365.87 g/mol
Exact Mass365.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCOc1ccccc1CN(C)C(=O)c1cn(C2CCNCC2)nn1.Cl
InChIInChI=1S/C17H23N5O2.ClH/c1-21(11-13-5-3-4-6-16(13)24-2)17(23)15-12-22(20-19-15)14-7-9-18-10-8-14;/h3-6,12,14,18H,7-11H2,1-2H3;1H
InChIKeyPKACTYHFANKWAZ-UHFFFAOYSA-N
XLogP1.91
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119680469
N-[(2-methoxyphenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119681231
N-[(2-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119778568
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119766864
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119695557
N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119696278
N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119733735
N-butyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672309
[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 124687010
N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119813101
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119688580
N-[3-(4-methoxyphenyl)propyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119739216

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119681238) is N-[(2-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is COc1ccccc1CN(C)C(=O)c1cn(C2CCNCC2)nn1.Cl.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is PKACTYHFANKWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2.ClH/c1-21(11-13-5-3-4-6-16(13)24-2)17(23)15-12-22(20-19-15)14-7-9-18-10-8-14;/h3-6,12,14,18H,7-11H2,1-2H3;1H.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[(2-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 365.87 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119681238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).