N-[2-(1-adamantyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

C21H33N5O — CID 119679465

IUPACN-[2-(1-adamantyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NCCC23CC4CC(CC(C4)C2)C3)nnn1C1CCNCC1
InChIInChI=1S/C21H33N5O/c1-14-19(24-25-26(14)18-2-5-22-6-3-18)20(27)23-7-4-21-11-15-8-16(12-21)10-17(9-15)13-21/h15-18,22H,2-13H2,1H3,(H,23,27)
InChIKeyPIOZPLCFCKMYFM-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.85
Rot. Bonds5

About N-[2-(1-adamantyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

N-[2-(1-adamantyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119679465) has the molecular formula C21H33N5O and a molecular weight of 371.53 g/mol. Its IUPAC name is N-[2-(1-adamantyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1-adamantyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119679465
Molecular FormulaC21H33N5O
Molecular Weight371.53 g/mol
Exact Mass371.27
IUPAC NameN-[2-(1-adamantyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NCCC23CC4CC(CC(C4)C2)C3)nnn1C1CCNCC1
InChIInChI=1S/C21H33N5O/c1-14-19(24-25-26(14)18-2-5-22-6-3-18)20(27)23-7-4-21-11-15-8-16(12-21)10-17(9-15)13-21/h15-18,22H,2-13H2,1H3,(H,23,27)
InChIKeyPIOZPLCFCKMYFM-UHFFFAOYSA-N
XLogP2.85
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-adamantylmethyl)-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119730839
N-butyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671844
N-(2-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119790407
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119735938
N-(2-cyclohexylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119725707
5-methyl-N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119790971
N-cyclopentyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119674072
5-methyl-N-(2-phenylsulfanylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119691404
methyl 7-[(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)amino]heptanoate;hydrochloride
CID 119701295
5-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 124696094
N-[2-(3,5-dimethylphenoxy)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119746736
5-methyl-N-[2-(4-methylphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119681133

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[2-(1-adamantyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (CID 119679465) is N-[2-(1-adamantyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[2-(1-adamantyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[2-(1-adamantyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is Cc1c(C(=O)NCCC23CC4CC(CC(C4)C2)C3)nnn1C1CCNCC1.
What is the InChIKey of N-[2-(1-adamantyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is PIOZPLCFCKMYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O/c1-14-19(24-25-26(14)18-2-5-22-6-3-18)20(27)23-7-4-21-11-15-8-16(12-21)10-17(9-15)13-21/h15-18,22H,2-13H2,1H3,(H,23,27).
What are the key properties of N-[2-(1-adamantyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
N-[2-(1-adamantyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119679465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).