N-(2-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C14H24ClN5O — CID 119790407

IUPACN-(2-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCCC2CC2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C14H23N5O.ClH/c1-10-13(14(20)16-9-4-11-2-3-11)17-18-19(10)12-5-7-15-8-6-12;/h11-12,15H,2-9H2,1H3,(H,16,20);1H
InChIKeyRTSRFLCFQBXEDS-UHFFFAOYSA-N
MW313.83 g/mol
LogP1.46
Rot. Bonds5

About N-(2-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-(2-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119790407) has the molecular formula C14H24ClN5O and a molecular weight of 313.83 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119790407
Molecular FormulaC14H24ClN5O
Molecular Weight313.83 g/mol
Exact Mass313.17
IUPAC NameN-(2-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCCC2CC2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C14H23N5O.ClH/c1-10-13(14(20)16-9-4-11-2-3-11)17-18-19(10)12-5-7-15-8-6-12;/h11-12,15H,2-9H2,1H3,(H,16,20);1H
InChIKeyRTSRFLCFQBXEDS-UHFFFAOYSA-N
XLogP1.46
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 119725707
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CID 119671844
N-(4-ethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716143
N-cyclopentyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119674072
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119735938
5-methyl-N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119790971
methyl 7-[(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)amino]heptanoate;hydrochloride
CID 119701295
N-[2-(3,5-dimethylphenoxy)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119746736
N-(3-ethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119793290
5-methyl-N-[2-(4-methylphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119681133
N-[2-(1-adamantyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119679465
N-[2-(3,5-dimethoxyphenoxy)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119822595

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119790407) is N-(2-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1c(C(=O)NCCC2CC2)nnn1C1CCNCC1.Cl.
What is the InChIKey of N-(2-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is RTSRFLCFQBXEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O.ClH/c1-10-13(14(20)16-9-4-11-2-3-11)17-18-19(10)12-5-7-15-8-6-12;/h11-12,15H,2-9H2,1H3,(H,16,20);1H.
What are the key properties of N-(2-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-(2-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119790407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).