N-cyclopropyl-2-[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]propanamide

C18H26N4O3 — CID 51299542

IUPACN-cyclopropyl-2-[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]propanamide
SMILESCCOc1ncccc1C(=O)N1CCN(C(C)C(=O)NC2CC2)CC1
InChIInChI=1S/C18H26N4O3/c1-3-25-17-15(5-4-8-19-17)18(24)22-11-9-21(10-12-22)13(2)16(23)20-14-6-7-14/h4-5,8,13-14H,3,6-7,9-12H2,1-2H3,(H,20,23)
InChIKeySIFSLLWUKUQWIR-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.91
Rot. Bonds6

About N-cyclopropyl-2-[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]propanamide

N-cyclopropyl-2-[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]propanamide (PubChem CID 51299542) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]propanamide
PubChem CID51299542
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-cyclopropyl-2-[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]propanamide
SMILESCCOc1ncccc1C(=O)N1CCN(C(C)C(=O)NC2CC2)CC1
InChIInChI=1S/C18H26N4O3/c1-3-25-17-15(5-4-8-19-17)18(24)22-11-9-21(10-12-22)13(2)16(23)20-14-6-7-14/h4-5,8,13-14H,3,6-7,9-12H2,1-2H3,(H,20,23)
InChIKeySIFSLLWUKUQWIR-UHFFFAOYSA-N
XLogP0.91
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-2-[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]propanamide 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-cyclopropyl-2-[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-2-[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]propanamide (CID 51299542) is N-cyclopropyl-2-[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]propanamide is CCOc1ncccc1C(=O)N1CCN(C(C)C(=O)NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-2-[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]propanamide?
The InChIKey is SIFSLLWUKUQWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-3-25-17-15(5-4-8-19-17)18(24)22-11-9-21(10-12-22)13(2)16(23)20-14-6-7-14/h4-5,8,13-14H,3,6-7,9-12H2,1-2H3,(H,20,23).
What are the key properties of N-cyclopropyl-2-[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]propanamide?
N-cyclopropyl-2-[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]propanamide has a molecular weight of 346.43 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 51299542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).