N-benzyl-N-butan-2-yl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C19H28ClN5O — CID 119688827

IUPACN-benzyl-N-butan-2-yl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCC(C)N(Cc1ccccc1)C(=O)c1cn(C2CCNCC2)nn1.Cl
InChIInChI=1S/C19H27N5O.ClH/c1-3-15(2)23(13-16-7-5-4-6-8-16)19(25)18-14-24(22-21-18)17-9-11-20-12-10-17;/h4-8,14-15,17,20H,3,9-13H2,1-2H3;1H
InChIKeyGWMOHLMDJXMOSP-UHFFFAOYSA-N
MW377.92 g/mol
LogP3.07
Rot. Bonds6

About N-benzyl-N-butan-2-yl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-benzyl-N-butan-2-yl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119688827) has the molecular formula C19H28ClN5O and a molecular weight of 377.92 g/mol. Its IUPAC name is N-benzyl-N-butan-2-yl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-benzyl-N-butan-2-yl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119688827
Molecular FormulaC19H28ClN5O
Molecular Weight377.92 g/mol
Exact Mass377.20
IUPAC NameN-benzyl-N-butan-2-yl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCC(C)N(Cc1ccccc1)C(=O)c1cn(C2CCNCC2)nn1.Cl
InChIInChI=1S/C19H27N5O.ClH/c1-3-15(2)23(13-16-7-5-4-6-8-16)19(25)18-14-24(22-21-18)17-9-11-20-12-10-17;/h4-8,14-15,17,20H,3,9-13H2,1-2H3;1H
InChIKeyGWMOHLMDJXMOSP-UHFFFAOYSA-N
XLogP3.07
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119737731
N-butyl-N-(1-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119797616
N-benzyl-N-butan-2-yl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119688822
N-[2-[benzyl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119862234
N-[3-[benzyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119835652
N-cyclopropyl-N-[(4-ethylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119715413
N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671423
N-(cyclopropylmethyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide
CID 63284248
N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672595
N-[2-[butan-2-yl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119874287
N-[(4-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119680469
N-(2-phenylethyl)-1-piperidin-4-yl-N-prop-2-enyltriazole-4-carboxamide
CID 119752331

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butan-2-yl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-benzyl-N-butan-2-yl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119688827) is N-benzyl-N-butan-2-yl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-benzyl-N-butan-2-yl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-benzyl-N-butan-2-yl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CCC(C)N(Cc1ccccc1)C(=O)c1cn(C2CCNCC2)nn1.Cl.
What is the InChIKey of N-benzyl-N-butan-2-yl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is GWMOHLMDJXMOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O.ClH/c1-3-15(2)23(13-16-7-5-4-6-8-16)19(25)18-14-24(22-21-18)17-9-11-20-12-10-17;/h4-8,14-15,17,20H,3,9-13H2,1-2H3;1H.
What are the key properties of N-benzyl-N-butan-2-yl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-benzyl-N-butan-2-yl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 377.92 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-butan-2-yl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119688827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).