4-ethyl-N-[(1S,2R)-2-fluorocyclopentyl]-3-oxo-1,4-diazepane-1-carboxamide

C13H22FN3O2 — CID 128619982

IUPAC4-ethyl-N-[(1S,2R)-2-fluorocyclopentyl]-3-oxo-1,4-diazepane-1-carboxamide
SMILESCCN1CCCN(C(=O)N[C@H]2CCC[C@H]2F)CC1=O
InChIInChI=1S/C13H22FN3O2/c1-2-16-7-4-8-17(9-12(16)18)13(19)15-11-6-3-5-10(11)14/h10-11H,2-9H2,1H3,(H,15,19)/t10-,11+/m1/s1
InChIKeyLKUNIHWUZQSWNI-MNOVXSKESA-N
MW271.34 g/mol
LogP1.14
Rot. Bonds2

About 4-ethyl-N-[(1S,2R)-2-fluorocyclopentyl]-3-oxo-1,4-diazepane-1-carboxamide

4-ethyl-N-[(1S,2R)-2-fluorocyclopentyl]-3-oxo-1,4-diazepane-1-carboxamide (PubChem CID 128619982) has the molecular formula C13H22FN3O2 and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-ethyl-N-[(1S,2R)-2-fluorocyclopentyl]-3-oxo-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(1S,2R)-2-fluorocyclopentyl]-3-oxo-1,4-diazepane-1-carboxamide
PubChem CID128619982
Molecular FormulaC13H22FN3O2
Molecular Weight271.34 g/mol
Exact Mass271.17
IUPAC Name4-ethyl-N-[(1S,2R)-2-fluorocyclopentyl]-3-oxo-1,4-diazepane-1-carboxamide
SMILESCCN1CCCN(C(=O)N[C@H]2CCC[C@H]2F)CC1=O
InChIInChI=1S/C13H22FN3O2/c1-2-16-7-4-8-17(9-12(16)18)13(19)15-11-6-3-5-10(11)14/h10-11H,2-9H2,1H3,(H,15,19)/t10-,11+/m1/s1
InChIKeyLKUNIHWUZQSWNI-MNOVXSKESA-N
XLogP1.14
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-N-[(1S,2R)-2-fluorocyclopentyl]-3-oxo-1,4-diazepane-1-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 4-ethyl-N-[(1S,2R)-2-fluorocyclopentyl]-3-oxo-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-ethyl-N-[(1S,2R)-2-fluorocyclopentyl]-3-oxo-1,4-diazepane-1-carboxamide (CID 128619982) is 4-ethyl-N-[(1S,2R)-2-fluorocyclopentyl]-3-oxo-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(1S,2R)-2-fluorocyclopentyl]-3-oxo-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-ethyl-N-[(1S,2R)-2-fluorocyclopentyl]-3-oxo-1,4-diazepane-1-carboxamide is CCN1CCCN(C(=O)N[C@H]2CCC[C@H]2F)CC1=O.
What is the InChIKey of 4-ethyl-N-[(1S,2R)-2-fluorocyclopentyl]-3-oxo-1,4-diazepane-1-carboxamide?
The InChIKey is LKUNIHWUZQSWNI-MNOVXSKESA-N. The full InChI is InChI=1S/C13H22FN3O2/c1-2-16-7-4-8-17(9-12(16)18)13(19)15-11-6-3-5-10(11)14/h10-11H,2-9H2,1H3,(H,15,19)/t10-,11+/m1/s1.
What are the key properties of 4-ethyl-N-[(1S,2R)-2-fluorocyclopentyl]-3-oxo-1,4-diazepane-1-carboxamide?
4-ethyl-N-[(1S,2R)-2-fluorocyclopentyl]-3-oxo-1,4-diazepane-1-carboxamide has a molecular weight of 271.34 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(1S,2R)-2-fluorocyclopentyl]-3-oxo-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 128619982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).