N-[3-(4-methoxyphenyl)propyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C19H28ClN5O2 — CID 119739216

IUPACN-[3-(4-methoxyphenyl)propyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCOc1ccc(CCCN(C)C(=O)c2cn(C3CCNCC3)nn2)cc1.Cl
InChIInChI=1S/C19H27N5O2.ClH/c1-23(13-3-4-15-5-7-17(26-2)8-6-15)19(25)18-14-24(22-21-18)16-9-11-20-12-10-16;/h5-8,14,16,20H,3-4,9-13H2,1-2H3;1H
InChIKeyRWQCBUILIBFRIW-UHFFFAOYSA-N
MW393.92 g/mol
LogP2.34
Rot. Bonds7

About N-[3-(4-methoxyphenyl)propyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-[3-(4-methoxyphenyl)propyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119739216) has the molecular formula C19H28ClN5O2 and a molecular weight of 393.92 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)propyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)propyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119739216
Molecular FormulaC19H28ClN5O2
Molecular Weight393.92 g/mol
Exact Mass393.19
IUPAC NameN-[3-(4-methoxyphenyl)propyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCOc1ccc(CCCN(C)C(=O)c2cn(C3CCNCC3)nn2)cc1.Cl
InChIInChI=1S/C19H27N5O2.ClH/c1-23(13-3-4-15-5-7-17(26-2)8-6-15)19(25)18-14-24(22-21-18)16-9-11-20-12-10-16;/h5-8,14,16,20H,3-4,9-13H2,1-2H3;1H
InChIKeyRWQCBUILIBFRIW-UHFFFAOYSA-N
XLogP2.34
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 52.34
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-butyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672309
4-[methyl-(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoic acid
CID 63284811
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119683686
N-methyl-N-(2-methylsulfonylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 79841941
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119766864
N-[(2-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119681238
N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671423
N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119877260
N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119733735
1-[1-(azetidin-3-yl)triazol-4-yl]-3-(4-methoxyphenyl)propan-1-one
CID 116590562
N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672595

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)propyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-(4-methoxyphenyl)propyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119739216) is N-[3-(4-methoxyphenyl)propyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(4-methoxyphenyl)propyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(4-methoxyphenyl)propyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is COc1ccc(CCCN(C)C(=O)c2cn(C3CCNCC3)nn2)cc1.Cl.
What is the InChIKey of N-[3-(4-methoxyphenyl)propyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is RWQCBUILIBFRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2.ClH/c1-23(13-3-4-15-5-7-17(26-2)8-6-15)19(25)18-14-24(22-21-18)16-9-11-20-12-10-16;/h5-8,14,16,20H,3-4,9-13H2,1-2H3;1H.
What are the key properties of N-[3-(4-methoxyphenyl)propyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[3-(4-methoxyphenyl)propyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 393.92 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)propyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119739216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).