N-(cyclopropylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide

C14H23N5O — CID 63954765

IUPACN-(cyclopropylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCN(CC1CC1)C(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C14H23N5O/c1-2-18(9-11-3-4-11)14(20)13-10-19(17-16-13)12-5-7-15-8-6-12/h10-12,15H,2-9H2,1H3
InChIKeyBRWUKZDMNQYBSE-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.07
Rot. Bonds5

About N-(cyclopropylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide

N-(cyclopropylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 63954765) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID63954765
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN-(cyclopropylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCN(CC1CC1)C(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C14H23N5O/c1-2-18(9-11-3-4-11)14(20)13-10-19(17-16-13)12-5-7-15-8-6-12/h10-12,15H,2-9H2,1H3
InChIKeyBRWUKZDMNQYBSE-UHFFFAOYSA-N
XLogP1.07
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.07
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-(cyclopropylmethyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide
CID 63284248
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119683209
N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672595
N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119759570
N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119855761
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119803832
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119690220
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-butyl-N-cyclopropyl-1-piperidin-4-yltriazole-4-carboxamide
CID 63283305
N-cyclohexyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 63282846

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide (CID 63954765) is N-(cyclopropylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide is CCN(CC1CC1)C(=O)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-(cyclopropylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is BRWUKZDMNQYBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-2-18(9-11-3-4-11)14(20)13-10-19(17-16-13)12-5-7-15-8-6-12/h10-12,15H,2-9H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide?
N-(cyclopropylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 63954765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).