N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

C18H29N5O — CID 119735938

IUPACN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NCCC2CC3CCC2C3)nnn1C1CCNCC1
InChIInChI=1S/C18H29N5O/c1-12-17(21-22-23(12)16-5-7-19-8-6-16)18(24)20-9-4-15-11-13-2-3-14(15)10-13/h13-16,19H,2-11H2,1H3,(H,20,24)
InChIKeyPBXDKXRDRJOARB-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.07
Rot. Bonds5

About N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119735938) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119735938
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC NameN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NCCC2CC3CCC2C3)nnn1C1CCNCC1
InChIInChI=1S/C18H29N5O/c1-12-17(21-22-23(12)16-5-7-19-8-6-16)18(24)20-9-4-15-11-13-2-3-14(15)10-13/h13-16,19H,2-11H2,1H3,(H,20,24)
InChIKeyPBXDKXRDRJOARB-UHFFFAOYSA-N
XLogP2.07
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119790407
N-(2-cyclohexylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119725707
N-butyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671844
N-[2-(1-adamantyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119679465
methyl 7-[(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)amino]heptanoate;hydrochloride
CID 119701295
5-methyl-N-(2-phenylsulfanylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119691404
5-methyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716278
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-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 124696094
5-methyl-N-[2-(4-methylphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119681133
N-[3-(dimethylamino)cyclohexyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119889049

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (CID 119735938) is N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is Cc1c(C(=O)NCCC2CC3CCC2C3)nnn1C1CCNCC1.
What is the InChIKey of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is PBXDKXRDRJOARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-12-17(21-22-23(12)16-5-7-19-8-6-16)18(24)20-9-4-15-11-13-2-3-14(15)10-13/h13-16,19H,2-11H2,1H3,(H,20,24).
What are the key properties of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119735938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).