N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]acetamide

C16H27N3O3 — CID 166367740

IUPACN-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]acetamide
SMILESCCN1CC(C(=O)N2CCCCC(NC(C)=O)C2)CCC1=O
InChIInChI=1S/C16H27N3O3/c1-3-18-10-13(7-8-15(18)21)16(22)19-9-5-4-6-14(11-19)17-12(2)20/h13-14H,3-11H2,1-2H3,(H,17,20)
InChIKeyJPVHEXVNCBCAAT-UHFFFAOYSA-N
MW309.41 g/mol
LogP0.76
Rot. Bonds3

About N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]acetamide

N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]acetamide (PubChem CID 166367740) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]acetamide
PubChem CID166367740
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC NameN-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]acetamide
SMILESCCN1CC(C(=O)N2CCCCC(NC(C)=O)C2)CCC1=O
InChIInChI=1S/C16H27N3O3/c1-3-18-10-13(7-8-15(18)21)16(22)19-9-5-4-6-14(11-19)17-12(2)20/h13-14H,3-11H2,1-2H3,(H,17,20)
InChIKeyJPVHEXVNCBCAAT-UHFFFAOYSA-N
XLogP0.76
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]acetamide 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-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]acetamide?
The IUPAC name of N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]acetamide (CID 166367740) is N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]acetamide.
What is the SMILES notation for N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]acetamide?
The canonical SMILES for N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]acetamide is CCN1CC(C(=O)N2CCCCC(NC(C)=O)C2)CCC1=O.
What is the InChIKey of N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]acetamide?
The InChIKey is JPVHEXVNCBCAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-3-18-10-13(7-8-15(18)21)16(22)19-9-5-4-6-14(11-19)17-12(2)20/h13-14H,3-11H2,1-2H3,(H,17,20).
What are the key properties of N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]acetamide?
N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]acetamide has a molecular weight of 309.41 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-6-oxopiperidine-3-carbonyl)azepan-3-yl]acetamide is sourced from PubChem (CID 166367740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).