(3R)-3-ethyl-4-[2-(1-methylcyclobutyl)oxyacetyl]-1,4-diazepan-2-one

C14H24N2O3 — CID 154787492

IUPAC(3R)-3-ethyl-4-[2-(1-methylcyclobutyl)oxyacetyl]-1,4-diazepan-2-one
SMILESCC[C@@H]1C(=O)NCCCN1C(=O)COC1(C)CCC1
InChIInChI=1S/C14H24N2O3/c1-3-11-13(18)15-8-5-9-16(11)12(17)10-19-14(2)6-4-7-14/h11H,3-10H2,1-2H3,(H,15,18)/t11-/m1/s1
InChIKeyGBDYHXGCTDOPLB-LLVKDONJSA-N
MW268.36 g/mol
LogP1.07
Rot. Bonds4

About (3R)-3-ethyl-4-[2-(1-methylcyclobutyl)oxyacetyl]-1,4-diazepan-2-one

(3R)-3-ethyl-4-[2-(1-methylcyclobutyl)oxyacetyl]-1,4-diazepan-2-one (PubChem CID 154787492) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is (3R)-3-ethyl-4-[2-(1-methylcyclobutyl)oxyacetyl]-1,4-diazepan-2-one.

Molecular Properties

Compound Name(3R)-3-ethyl-4-[2-(1-methylcyclobutyl)oxyacetyl]-1,4-diazepan-2-one
PubChem CID154787492
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name(3R)-3-ethyl-4-[2-(1-methylcyclobutyl)oxyacetyl]-1,4-diazepan-2-one
SMILESCC[C@@H]1C(=O)NCCCN1C(=O)COC1(C)CCC1
InChIInChI=1S/C14H24N2O3/c1-3-11-13(18)15-8-5-9-16(11)12(17)10-19-14(2)6-4-7-14/h11H,3-10H2,1-2H3,(H,15,18)/t11-/m1/s1
InChIKeyGBDYHXGCTDOPLB-LLVKDONJSA-N
XLogP1.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-cyclohexylacetyl)-3-ethylpiperazin-2-one
CID 63600501
4-[2-[1-(aminomethyl)cyclohexyl]acetyl]-3-ethylpiperazin-2-one
CID 104678212
3-ethyl-4-[2-(propan-2-ylamino)acetyl]piperazin-2-one
CID 63602812
(3R)-3-ethyl-4-(4-imidazol-1-ylbutanoyl)-1,4-diazepan-2-one
CID 136586989
3-ethyl-4-(3-methylsulfonylpropanoyl)piperazin-2-one
CID 63600127
(3S)-4-[3-(3-ethoxyphenyl)propanoyl]-3-ethyl-1,4-diazepan-2-one
CID 136587028
4-(4-ethoxybutanoyl)-3-ethylpiperazin-2-one
CID 78947868
4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-3-ethylpiperazin-2-one;hydrochloride
CID 119773833
3-[2-[(2S)-2-ethyl-3-oxo-1,4-diazepan-1-yl]-2-oxoethyl]-2H-isoquinolin-1-one
CID 136587024
3-ethyl-4-(3-methylpentanoyl)piperazin-2-one
CID 114875520
3-(2-ethyl-3-oxopiperazin-1-yl)-3-oxopropanethioamide
CID 63603860
3-ethyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one
CID 63600882

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-4-[2-(1-methylcyclobutyl)oxyacetyl]-1,4-diazepan-2-one?
The IUPAC name of (3R)-3-ethyl-4-[2-(1-methylcyclobutyl)oxyacetyl]-1,4-diazepan-2-one (CID 154787492) is (3R)-3-ethyl-4-[2-(1-methylcyclobutyl)oxyacetyl]-1,4-diazepan-2-one.
What is the SMILES notation for (3R)-3-ethyl-4-[2-(1-methylcyclobutyl)oxyacetyl]-1,4-diazepan-2-one?
The canonical SMILES for (3R)-3-ethyl-4-[2-(1-methylcyclobutyl)oxyacetyl]-1,4-diazepan-2-one is CC[C@@H]1C(=O)NCCCN1C(=O)COC1(C)CCC1.
What is the InChIKey of (3R)-3-ethyl-4-[2-(1-methylcyclobutyl)oxyacetyl]-1,4-diazepan-2-one?
The InChIKey is GBDYHXGCTDOPLB-LLVKDONJSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-3-11-13(18)15-8-5-9-16(11)12(17)10-19-14(2)6-4-7-14/h11H,3-10H2,1-2H3,(H,15,18)/t11-/m1/s1.
What are the key properties of (3R)-3-ethyl-4-[2-(1-methylcyclobutyl)oxyacetyl]-1,4-diazepan-2-one?
(3R)-3-ethyl-4-[2-(1-methylcyclobutyl)oxyacetyl]-1,4-diazepan-2-one has a molecular weight of 268.36 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-4-[2-(1-methylcyclobutyl)oxyacetyl]-1,4-diazepan-2-one is sourced from PubChem (CID 154787492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).