cyclopentyl-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)methanone

C16H28N2O2 — CID 97491865

IUPACcyclopentyl-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESCCN1CCOCC12CCN(C(=O)C1CCCC1)CC2
InChIInChI=1S/C16H28N2O2/c1-2-18-11-12-20-13-16(18)7-9-17(10-8-16)15(19)14-5-3-4-6-14/h14H,2-13H2,1H3
InChIKeyNTLUOZDQKCISOS-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.89
Rot. Bonds2

About cyclopentyl-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)methanone

cyclopentyl-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)methanone (PubChem CID 97491865) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is cyclopentyl-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Namecyclopentyl-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)methanone
PubChem CID97491865
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Namecyclopentyl-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESCCN1CCOCC12CCN(C(=O)C1CCCC1)CC2
InChIInChI=1S/C16H28N2O2/c1-2-18-11-12-20-13-16(18)7-9-17(10-8-16)15(19)14-5-3-4-6-14/h14H,2-13H2,1H3
InChIKeyNTLUOZDQKCISOS-UHFFFAOYSA-N
XLogP1.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97396364
[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-(oxolan-2-yl)methanone
CID 118738843
1-ethyl-8-oxa-1-azaspiro[5.5]undecane
CID 166896589
(1-methyl-1,9-diazaspiro[5.5]undecan-9-yl)-(oxan-4-yl)methanone
CID 97399383
2-[8-(cyclopentanecarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide
CID 97409289
cyclohexyl-[(3R)-2-methyl-3-(morpholin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 164635363
cyclohexyl(1,3-oxazolidin-3-yl)methanone
CID 110739939
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclopentyl-[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]methanone
CID 131660587
cyclopentyl-(3-methoxy-7-azaspiro[3.5]nonan-7-yl)methanone
CID 110197944

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of cyclopentyl-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)methanone (CID 97491865) is cyclopentyl-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for cyclopentyl-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for cyclopentyl-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)methanone is CCN1CCOCC12CCN(C(=O)C1CCCC1)CC2.
What is the InChIKey of cyclopentyl-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is NTLUOZDQKCISOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-2-18-11-12-20-13-16(18)7-9-17(10-8-16)15(19)14-5-3-4-6-14/h14H,2-13H2,1H3.
What are the key properties of cyclopentyl-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)methanone?
cyclopentyl-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 280.41 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 97491865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).