N-benzyl-N-butan-2-yl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C20H30ClN5O — CID 119688822

IUPACN-benzyl-N-butan-2-yl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCC(C)N(Cc1ccccc1)C(=O)c1nnn(C2CCNCC2)c1C.Cl
InChIInChI=1S/C20H29N5O.ClH/c1-4-15(2)24(14-17-8-6-5-7-9-17)20(26)19-16(3)25(23-22-19)18-10-12-21-13-11-18;/h5-9,15,18,21H,4,10-14H2,1-3H3;1H
InChIKeyFSJBCDWRKDFDSU-UHFFFAOYSA-N
MW391.95 g/mol
LogP3.37
Rot. Bonds6

About N-benzyl-N-butan-2-yl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-benzyl-N-butan-2-yl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119688822) has the molecular formula C20H30ClN5O and a molecular weight of 391.95 g/mol. Its IUPAC name is N-benzyl-N-butan-2-yl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-benzyl-N-butan-2-yl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119688822
Molecular FormulaC20H30ClN5O
Molecular Weight391.95 g/mol
Exact Mass391.21
IUPAC NameN-benzyl-N-butan-2-yl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCC(C)N(Cc1ccccc1)C(=O)c1nnn(C2CCNCC2)c1C.Cl
InChIInChI=1S/C20H29N5O.ClH/c1-4-15(2)24(14-17-8-6-5-7-9-17)20(26)19-16(3)25(23-22-19)18-10-12-21-13-11-18;/h5-9,15,18,21H,4,10-14H2,1-3H3;1H
InChIKeyFSJBCDWRKDFDSU-UHFFFAOYSA-N
XLogP3.37
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.95
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-methyl-N-(4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 166228127
N-benzyl-N-butan-2-yl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119688827
N-ethyl-5-methyl-N-(2-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119736297
5-methyl-N-(2-methylpropyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide
CID 119730921
(4-benzylpiperidin-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119671865
N-[2-(diethylamino)-2-phenylethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119399163
N-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119799769
N-(2-methoxyethyl)-5-methyl-N-pentan-3-yl-1-piperidin-4-yltriazole-4-carboxamide
CID 119729618
N-[(3-fluorophenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119681572
5-methyl-N-phenyl-1-piperidin-4-yl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide
CID 119767433
5-methyl-N-(2-methyl-3-phenylmethoxypropyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119750635
N-(2,3-dihydro-1H-inden-2-yl)-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119746179

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butan-2-yl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-benzyl-N-butan-2-yl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119688822) is N-benzyl-N-butan-2-yl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-benzyl-N-butan-2-yl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-benzyl-N-butan-2-yl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CCC(C)N(Cc1ccccc1)C(=O)c1nnn(C2CCNCC2)c1C.Cl.
What is the InChIKey of N-benzyl-N-butan-2-yl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is FSJBCDWRKDFDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O.ClH/c1-4-15(2)24(14-17-8-6-5-7-9-17)20(26)19-16(3)25(23-22-19)18-10-12-21-13-11-18;/h5-9,15,18,21H,4,10-14H2,1-3H3;1H.
What are the key properties of N-benzyl-N-butan-2-yl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-benzyl-N-butan-2-yl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 391.95 g/mol, XLogP of 3.37, 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-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119688822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).