N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C18H34ClN5O — CID 119672595

IUPACN,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCC(C)CCN(CCC(C)C)C(=O)c1cn(C2CCNCC2)nn1.Cl
InChIInChI=1S/C18H33N5O.ClH/c1-14(2)7-11-22(12-8-15(3)4)18(24)17-13-23(21-20-17)16-5-9-19-10-6-16;/h13-16,19H,5-12H2,1-4H3;1H
InChIKeyGBZCAGOUFKXBCY-UHFFFAOYSA-N
MW371.96 g/mol
LogP3.16
Rot. Bonds8

About N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119672595) has the molecular formula C18H34ClN5O and a molecular weight of 371.96 g/mol. Its IUPAC name is N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119672595
Molecular FormulaC18H34ClN5O
Molecular Weight371.96 g/mol
Exact Mass371.25
IUPAC NameN,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCC(C)CCN(CCC(C)C)C(=O)c1cn(C2CCNCC2)nn1.Cl
InChIInChI=1S/C18H33N5O.ClH/c1-14(2)7-11-22(12-8-15(3)4)18(24)17-13-23(21-20-17)16-5-9-19-10-6-16;/h13-16,19H,5-12H2,1-4H3;1H
InChIKeyGBZCAGOUFKXBCY-UHFFFAOYSA-N
XLogP3.16
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.96
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671423
N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119855761
N-butan-2-yl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119737731
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
N-(cyclopropylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide
CID 63954765
N-(cyclopropylmethyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide
CID 63284248
N-butyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672309
N-(3-hydroxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75373004
N-(4-ethylsulfanylbutan-2-yl)-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119817468
[4-(3-methylbutyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
CID 91642263
N-butyl-N-(1-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119797616
N-cyclopentyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119696941

Frequently Asked Questions

What is the IUPAC name of N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119672595) is N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CC(C)CCN(CCC(C)C)C(=O)c1cn(C2CCNCC2)nn1.Cl.
What is the InChIKey of N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is GBZCAGOUFKXBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5O.ClH/c1-14(2)7-11-22(12-8-15(3)4)18(24)17-13-23(21-20-17)16-5-9-19-10-6-16;/h13-16,19H,5-12H2,1-4H3;1H.
What are the key properties of N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 371.96 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119672595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).