N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-piperidin-4-yl-N-propyltriazole-4-carboxamide

C19H33N5O2 — CID 119800326

IUPACN-(3-ethoxy-2,2-dimethylcyclobutyl)-1-piperidin-4-yl-N-propyltriazole-4-carboxamide
SMILESCCCN(C(=O)c1cn(C2CCNCC2)nn1)C1CC(OCC)C1(C)C
InChIInChI=1S/C19H33N5O2/c1-5-11-23(16-12-17(26-6-2)19(16,3)4)18(25)15-13-24(22-21-15)14-7-9-20-10-8-14/h13-14,16-17,20H,5-12H2,1-4H3
InChIKeyHSCMVSVGLBXGLM-UHFFFAOYSA-N
MW363.51 g/mol
LogP2.26
Rot. Bonds7

About N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-piperidin-4-yl-N-propyltriazole-4-carboxamide

N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-piperidin-4-yl-N-propyltriazole-4-carboxamide (PubChem CID 119800326) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-piperidin-4-yl-N-propyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-1-piperidin-4-yl-N-propyltriazole-4-carboxamide
PubChem CID119800326
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-1-piperidin-4-yl-N-propyltriazole-4-carboxamide
SMILESCCCN(C(=O)c1cn(C2CCNCC2)nn1)C1CC(OCC)C1(C)C
InChIInChI=1S/C19H33N5O2/c1-5-11-23(16-12-17(26-6-2)19(16,3)4)18(25)15-13-24(22-21-15)14-7-9-20-10-8-14/h13-14,16-17,20H,5-12H2,1-4H3
InChIKeyHSCMVSVGLBXGLM-UHFFFAOYSA-N
XLogP2.26
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-piperidin-4-yl-N-propyltriazole-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-[(1R,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 124683338
N-[(1S,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 124684050
N-butyl-N-cyclopropyl-1-piperidin-4-yltriazole-4-carboxamide
CID 63283305
N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671423
N-butyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672309
N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672595
N-cyclopropyl-N-[(4-ethylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119715413
N-(cyclopropylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide
CID 63954765
N-butan-2-yl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119737731
N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119855761
4-[(3-ethoxy-2,2-dimethylcyclobutyl)-propylcarbamoyl]pyridine-2-carboxylic acid
CID 119186362
N-methyl-N-(2-methylsulfonylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 79841941

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-piperidin-4-yl-N-propyltriazole-4-carboxamide?
The IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-piperidin-4-yl-N-propyltriazole-4-carboxamide (CID 119800326) is N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-piperidin-4-yl-N-propyltriazole-4-carboxamide.
What is the SMILES notation for N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-piperidin-4-yl-N-propyltriazole-4-carboxamide?
The canonical SMILES for N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-piperidin-4-yl-N-propyltriazole-4-carboxamide is CCCN(C(=O)c1cn(C2CCNCC2)nn1)C1CC(OCC)C1(C)C.
What is the InChIKey of N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-piperidin-4-yl-N-propyltriazole-4-carboxamide?
The InChIKey is HSCMVSVGLBXGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O2/c1-5-11-23(16-12-17(26-6-2)19(16,3)4)18(25)15-13-24(22-21-15)14-7-9-20-10-8-14/h13-14,16-17,20H,5-12H2,1-4H3.
What are the key properties of N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-piperidin-4-yl-N-propyltriazole-4-carboxamide?
N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-piperidin-4-yl-N-propyltriazole-4-carboxamide has a molecular weight of 363.51 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2,2-dimethylcyclobutyl)-1-piperidin-4-yl-N-propyltriazole-4-carboxamide is sourced from PubChem (CID 119800326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).