N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide

C14H24N6O2 — CID 118782726

IUPACN-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide
SMILESCC(C)CN1CC(C(=O)NCCc2nc(N)n[nH]2)CCC1=O
InChIInChI=1S/C14H24N6O2/c1-9(2)7-20-8-10(3-4-12(20)21)13(22)16-6-5-11-17-14(15)19-18-11/h9-10H,3-8H2,1-2H3,(H,16,22)(H3,15,17,18,19)
InChIKeyDNILSYXSHQQPRV-UHFFFAOYSA-N
MW308.39 g/mol
LogP-0.06
Rot. Bonds6

About N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide

N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide (PubChem CID 118782726) has the molecular formula C14H24N6O2 and a molecular weight of 308.39 g/mol. Its IUPAC name is N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide
PubChem CID118782726
Molecular FormulaC14H24N6O2
Molecular Weight308.39 g/mol
Exact Mass308.20
IUPAC NameN-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide
SMILESCC(C)CN1CC(C(=O)NCCc2nc(N)n[nH]2)CCC1=O
InChIInChI=1S/C14H24N6O2/c1-9(2)7-20-8-10(3-4-12(20)21)13(22)16-6-5-11-17-14(15)19-18-11/h9-10H,3-8H2,1-2H3,(H,16,22)(H3,15,17,18,19)
InChIKeyDNILSYXSHQQPRV-UHFFFAOYSA-N
XLogP-0.06
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-(2-methylpropyl)-6-oxopiperidine-3-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

(3S)-1-(2-methylpropyl)-6-oxo-N-[2-(1H-pyrazol-5-yl)ethyl]piperidine-3-carboxamide
CID 125175125
(3R)-1-(2-methylpropyl)-6-oxo-N-[3-(2H-tetrazol-5-yl)propyl]piperidine-3-carboxamide
CID 126450610
(3R)-N-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide
CID 125177723
(3R)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide
CID 137157339
(4S)-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2,2-dimethyloxane-4-carboxamide
CID 125445372
methyl 2-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 91763287
(3S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 94068245
N-(3-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 47025507
(3S)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 95125789
1-(2-methylpropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 46109453
N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 72859704
(3R)-1-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide
CID 97119210

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide (CID 118782726) is N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide is CC(C)CN1CC(C(=O)NCCc2nc(N)n[nH]2)CCC1=O.
What is the InChIKey of N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is DNILSYXSHQQPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O2/c1-9(2)7-20-8-10(3-4-12(20)21)13(22)16-6-5-11-17-14(15)19-18-11/h9-10H,3-8H2,1-2H3,(H,16,22)(H3,15,17,18,19).
What are the key properties of N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide?
N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 308.39 g/mol, XLogP of -0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 118782726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).