N-(4-phenylmethoxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C19H28ClN5O2 — CID 119763497

IUPACN-(4-phenylmethoxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCCCOCc1ccccc1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C19H27N5O2.ClH/c25-19(18-14-24(23-22-18)17-8-11-20-12-9-17)21-10-4-5-13-26-15-16-6-2-1-3-7-16;/h1-3,6-7,14,17,20H,4-5,8-13,15H2,(H,21,25);1H
InChIKeyDEHDWECCRAQZNE-UHFFFAOYSA-N
MW393.92 g/mol
LogP2.35
Rot. Bonds9

About N-(4-phenylmethoxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-(4-phenylmethoxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119763497) has the molecular formula C19H28ClN5O2 and a molecular weight of 393.92 g/mol. Its IUPAC name is N-(4-phenylmethoxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-phenylmethoxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119763497
Molecular FormulaC19H28ClN5O2
Molecular Weight393.92 g/mol
Exact Mass393.19
IUPAC NameN-(4-phenylmethoxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCCCOCc1ccccc1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C19H27N5O2.ClH/c25-19(18-14-24(23-22-18)17-8-11-20-12-9-17)21-10-4-5-13-26-15-16-6-2-1-3-7-16;/h1-3,6-7,14,17,20H,4-5,8-13,15H2,(H,21,25);1H
InChIKeyDEHDWECCRAQZNE-UHFFFAOYSA-N
XLogP2.35
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[benzyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119835652
N-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 107842557
N-[4-(N-methylanilino)butyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119861961
N-(5-amino-5-oxopentyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 106235634
N-[2-[benzyl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119862234
N-[3-(4-methylphenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119757238
1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)triazole-4-carboxamide
CID 63284386
1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide;dihydrochloride
CID 119835561
N-[3-(dipropylamino)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119861207
N-[3-(benzimidazol-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119834571
N-[4-(4-nitrophenyl)butyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119778293
N-[(3-phenoxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119732509

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylmethoxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(4-phenylmethoxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119763497) is N-(4-phenylmethoxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-phenylmethoxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(4-phenylmethoxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cl.O=C(NCCCCOCc1ccccc1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-(4-phenylmethoxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is DEHDWECCRAQZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2.ClH/c25-19(18-14-24(23-22-18)17-8-11-20-12-9-17)21-10-4-5-13-26-15-16-6-2-1-3-7-16;/h1-3,6-7,14,17,20H,4-5,8-13,15H2,(H,21,25);1H.
What are the key properties of N-(4-phenylmethoxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-(4-phenylmethoxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 393.92 g/mol, XLogP of 2.35, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylmethoxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119763497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).