N-(2-methoxyethyl)-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide

C18H30N6O3 — CID 56863282

IUPACN-(2-methoxyethyl)-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCCN(C2CCN(C(=O)Cn3cncn3)CC2)C1
InChIInChI=1S/C18H30N6O3/c1-27-10-6-20-18(26)15-3-2-7-23(11-15)16-4-8-22(9-5-16)17(25)12-24-14-19-13-21-24/h13-16H,2-12H2,1H3,(H,20,26)
InChIKeyOTTKGEYAKYAOGU-UHFFFAOYSA-N
MW378.48 g/mol
LogP-0.26
Rot. Bonds7

About N-(2-methoxyethyl)-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide

N-(2-methoxyethyl)-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 56863282) has the molecular formula C18H30N6O3 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide
PubChem CID56863282
Molecular FormulaC18H30N6O3
Molecular Weight378.48 g/mol
Exact Mass378.24
IUPAC NameN-(2-methoxyethyl)-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCCN(C2CCN(C(=O)Cn3cncn3)CC2)C1
InChIInChI=1S/C18H30N6O3/c1-27-10-6-20-18(26)15-3-2-7-23(11-15)16-4-8-22(9-5-16)17(25)12-24-14-19-13-21-24/h13-16H,2-12H2,1H3,(H,20,26)
InChIKeyOTTKGEYAKYAOGU-UHFFFAOYSA-N
XLogP-0.26
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-methoxyethyl)-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]piperidine-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

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide (CID 56863282) is N-(2-methoxyethyl)-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide is COCCNC(=O)C1CCCN(C2CCN(C(=O)Cn3cncn3)CC2)C1.
What is the InChIKey of N-(2-methoxyethyl)-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is OTTKGEYAKYAOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O3/c1-27-10-6-20-18(26)15-3-2-7-23(11-15)16-4-8-22(9-5-16)17(25)12-24-14-19-13-21-24/h13-16H,2-12H2,1H3,(H,20,26).
What are the key properties of N-(2-methoxyethyl)-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide?
N-(2-methoxyethyl)-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 378.48 g/mol, XLogP of -0.26, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 56863282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).