N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C12H22ClN5O — CID 119671423

IUPACN,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)c1cn(C2CCNCC2)nn1.Cl
InChIInChI=1S/C12H21N5O.ClH/c1-3-16(4-2)12(18)11-9-17(15-14-11)10-5-7-13-8-6-10;/h9-10,13H,3-8H2,1-2H3;1H
InChIKeyMJPHKDARIDGRRI-UHFFFAOYSA-N
MW287.80 g/mol
LogP1.11
Rot. Bonds4

About N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119671423) has the molecular formula C12H22ClN5O and a molecular weight of 287.80 g/mol. Its IUPAC name is N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119671423
Molecular FormulaC12H22ClN5O
Molecular Weight287.80 g/mol
Exact Mass287.15
IUPAC NameN,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)c1cn(C2CCNCC2)nn1.Cl
InChIInChI=1S/C12H21N5O.ClH/c1-3-16(4-2)12(18)11-9-17(15-14-11)10-5-7-13-8-6-10;/h9-10,13H,3-8H2,1-2H3;1H
InChIKeyMJPHKDARIDGRRI-UHFFFAOYSA-N
XLogP1.11
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.80
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide
CID 63954765
N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672595
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-butyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672309
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119803832
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119683209
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119690220
N-cyclopentyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119696941
N-[3-(diethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119685390
N-butyl-N-cyclopropyl-1-piperidin-4-yltriazole-4-carboxamide
CID 63283305
N-cyclopropyl-N-[(4-ethylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119715413

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119671423) is N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CCN(CC)C(=O)c1cn(C2CCNCC2)nn1.Cl.
What is the InChIKey of N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is MJPHKDARIDGRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O.ClH/c1-3-16(4-2)12(18)11-9-17(15-14-11)10-5-7-13-8-6-10;/h9-10,13H,3-8H2,1-2H3;1H.
What are the key properties of N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 287.80 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119671423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).