cyclopentyl(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone

C12H19NO3 — CID 130972053

IUPACcyclopentyl(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone
SMILESO=C(C1CCCC1)N1CCC2(C1)OCCO2
InChIInChI=1S/C12H19NO3/c14-11(10-3-1-2-4-10)13-6-5-12(9-13)15-7-8-16-12/h10H,1-9H2
InChIKeyDTRNHQWKPVWMAH-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.15
Rot. Bonds1

About cyclopentyl(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone

cyclopentyl(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone (PubChem CID 130972053) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is cyclopentyl(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone.

Molecular Properties

Compound Namecyclopentyl(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone
PubChem CID130972053
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Namecyclopentyl(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone
SMILESO=C(C1CCCC1)N1CCC2(C1)OCCO2
InChIInChI=1S/C12H19NO3/c14-11(10-3-1-2-4-10)13-6-5-12(9-13)15-7-8-16-12/h10H,1-9H2
InChIKeyDTRNHQWKPVWMAH-UHFFFAOYSA-N
XLogP1.15
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,3-difluorocyclopentyl)-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 131008066
cyclopentyl-[8-(cyclopropanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 172884690
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methylpiperidin-3-yl)methanone
CID 110853599
cyclopentyl-(8-cyclopentyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone
CID 172884698
(9-amino-1-oxa-4-azaspiro[5.5]undecan-4-yl)-cyclobutylmethanone
CID 165470181
cyclopentyl-[8-(1-methylpiperidin-4-yl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 172884691
1-(cyclohexanecarbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55166325
1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2,2,3,3-tetramethylbutan-1-one
CID 131135319
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-cyclopentylmethanone
CID 120806071
(1,1-dioxothian-3-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone
CID 122134875
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dipropylcyclohexane-1-carboxamide
CID 109149331
cyclohexyl(piperidin-1-yl)methanone
CID 12760854

Frequently Asked Questions

What is the IUPAC name of cyclopentyl(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone?
The IUPAC name of cyclopentyl(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone (CID 130972053) is cyclopentyl(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone.
What is the SMILES notation for cyclopentyl(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone?
The canonical SMILES for cyclopentyl(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone is O=C(C1CCCC1)N1CCC2(C1)OCCO2.
What is the InChIKey of cyclopentyl(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone?
The InChIKey is DTRNHQWKPVWMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c14-11(10-3-1-2-4-10)13-6-5-12(9-13)15-7-8-16-12/h10H,1-9H2.
What are the key properties of cyclopentyl(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone?
cyclopentyl(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone has a molecular weight of 225.29 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone is sourced from PubChem (CID 130972053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).