N-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

C17H29N5O2 — CID 119731691

IUPACN-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NCC(O)C2CCCCC2)nnn1C1CCNCC1
InChIInChI=1S/C17H29N5O2/c1-12-16(20-21-22(12)14-7-9-18-10-8-14)17(24)19-11-15(23)13-5-3-2-4-6-13/h13-15,18,23H,2-11H2,1H3,(H,19,24)
InChIKeyVPBLNMYDBHHMSY-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.18
Rot. Bonds5

About N-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

N-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119731691) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119731691
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC NameN-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NCC(O)C2CCCCC2)nnn1C1CCNCC1
InChIInChI=1S/C17H29N5O2/c1-12-16(20-21-22(12)14-7-9-18-10-8-14)17(24)19-11-15(23)13-5-3-2-4-6-13/h13-15,18,23H,2-11H2,1H3,(H,19,24)
InChIKeyVPBLNMYDBHHMSY-UHFFFAOYSA-N
XLogP1.18
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2R)-6,6-dimethyloxan-2-yl]methyl]-5-methyl-1-propan-2-yltriazole-4-carboxamide
CID 164640798
N-(3-ethyl-2-hydroxypentyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 112351102
N-(3-ethyl-2-hydroxypentyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 112351103
N-(2-cyclopentyl-2-hydroxyethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 112351463
N-(2-cyclopentyl-2-hydroxyethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 112351464
N-[(2-hydroxy-1-methylcyclohexyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 112351665
N-[(2-hydroxy-1-methylcyclohexyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 112351666
N-(2,2-diethyl-4-hydroxybutyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 112351979
N-(2,2-diethyl-4-hydroxybutyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 112351980
N-(2-ethylhexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119669498
N-(2,3-dimethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119676175
5-methyl-N-(2-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119676474

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (CID 119731691) is N-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is Cc1c(C(=O)NCC(O)C2CCCCC2)nnn1C1CCNCC1.
What is the InChIKey of N-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is VPBLNMYDBHHMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-12-16(20-21-22(12)14-7-9-18-10-8-14)17(24)19-11-15(23)13-5-3-2-4-6-13/h13-15,18,23H,2-11H2,1H3,(H,19,24).
What are the key properties of N-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
N-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119731691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).