1-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-diazepan-5-one

C14H25N3O2 — CID 53013997

IUPAC1-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-diazepan-5-one
SMILESCCN1CCC(=O)N(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C14H25N3O2/c1-2-15-9-6-13(18)17(11-10-15)12-14(19)16-7-4-3-5-8-16/h2-12H2,1H3
InChIKeyWHUFAUUTBAANLK-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.55
Rot. Bonds3

About 1-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-diazepan-5-one

1-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-diazepan-5-one (PubChem CID 53013997) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-diazepan-5-one
PubChem CID53013997
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-diazepan-5-one
SMILESCCN1CCC(=O)N(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C14H25N3O2/c1-2-15-9-6-13(18)17(11-10-15)12-14(19)16-7-4-3-5-8-16/h2-12H2,1H3
InChIKeyWHUFAUUTBAANLK-UHFFFAOYSA-N
XLogP0.55
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-diazepan-5-one?
The IUPAC name of 1-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-diazepan-5-one (CID 53013997) is 1-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-diazepan-5-one.
What is the SMILES notation for 1-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-diazepan-5-one?
The canonical SMILES for 1-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-diazepan-5-one is CCN1CCC(=O)N(CC(=O)N2CCCCC2)CC1.
What is the InChIKey of 1-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-diazepan-5-one?
The InChIKey is WHUFAUUTBAANLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-2-15-9-6-13(18)17(11-10-15)12-14(19)16-7-4-3-5-8-16/h2-12H2,1H3.
What are the key properties of 1-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-diazepan-5-one?
1-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-diazepan-5-one has a molecular weight of 267.37 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-diazepan-5-one is sourced from PubChem (CID 53013997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).