4-(cyclopentanecarbonyl)-1-ethyl-9-oxa-1,4-diazaspiro[5.5]undecan-2-one

C16H26N2O3 — CID 110198013

IUPAC4-(cyclopentanecarbonyl)-1-ethyl-9-oxa-1,4-diazaspiro[5.5]undecan-2-one
SMILESCCN1C(=O)CN(C(=O)C2CCCC2)CC12CCOCC2
InChIInChI=1S/C16H26N2O3/c1-2-18-14(19)11-17(15(20)13-5-3-4-6-13)12-16(18)7-9-21-10-8-16/h13H,2-12H2,1H3
InChIKeyAHJRMLNVLKRKSE-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.42
Rot. Bonds2

About 4-(cyclopentanecarbonyl)-1-ethyl-9-oxa-1,4-diazaspiro[5.5]undecan-2-one

4-(cyclopentanecarbonyl)-1-ethyl-9-oxa-1,4-diazaspiro[5.5]undecan-2-one (PubChem CID 110198013) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 4-(cyclopentanecarbonyl)-1-ethyl-9-oxa-1,4-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name4-(cyclopentanecarbonyl)-1-ethyl-9-oxa-1,4-diazaspiro[5.5]undecan-2-one
PubChem CID110198013
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name4-(cyclopentanecarbonyl)-1-ethyl-9-oxa-1,4-diazaspiro[5.5]undecan-2-one
SMILESCCN1C(=O)CN(C(=O)C2CCCC2)CC12CCOCC2
InChIInChI=1S/C16H26N2O3/c1-2-18-14(19)11-17(15(20)13-5-3-4-6-13)12-16(18)7-9-21-10-8-16/h13H,2-12H2,1H3
InChIKeyAHJRMLNVLKRKSE-UHFFFAOYSA-N
XLogP1.42
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentanecarbonyl)-1-ethyl-9-oxa-1,4-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 4-(cyclopentanecarbonyl)-1-ethyl-9-oxa-1,4-diazaspiro[5.5]undecan-2-one (CID 110198013) is 4-(cyclopentanecarbonyl)-1-ethyl-9-oxa-1,4-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 4-(cyclopentanecarbonyl)-1-ethyl-9-oxa-1,4-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 4-(cyclopentanecarbonyl)-1-ethyl-9-oxa-1,4-diazaspiro[5.5]undecan-2-one is CCN1C(=O)CN(C(=O)C2CCCC2)CC12CCOCC2.
What is the InChIKey of 4-(cyclopentanecarbonyl)-1-ethyl-9-oxa-1,4-diazaspiro[5.5]undecan-2-one?
The InChIKey is AHJRMLNVLKRKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-2-18-14(19)11-17(15(20)13-5-3-4-6-13)12-16(18)7-9-21-10-8-16/h13H,2-12H2,1H3.
What are the key properties of 4-(cyclopentanecarbonyl)-1-ethyl-9-oxa-1,4-diazaspiro[5.5]undecan-2-one?
4-(cyclopentanecarbonyl)-1-ethyl-9-oxa-1,4-diazaspiro[5.5]undecan-2-one has a molecular weight of 294.39 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentanecarbonyl)-1-ethyl-9-oxa-1,4-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 110198013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).