cyclopenten-1-yl-[8-(cyclopentylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

C19H29NO3 — CID 131644026

IUPACcyclopenten-1-yl-[8-(cyclopentylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
SMILESO=C(C1=CCCC1)N1CC2(CC(OCC3CCCC3)CCO2)C1
InChIInChI=1S/C19H29NO3/c21-18(16-7-3-4-8-16)20-13-19(14-20)11-17(9-10-23-19)22-12-15-5-1-2-6-15/h7,15,17H,1-6,8-14H2
InChIKeyVXTUQTLLEAAIDV-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.06
Rot. Bonds4

About cyclopenten-1-yl-[8-(cyclopentylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

cyclopenten-1-yl-[8-(cyclopentylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (PubChem CID 131644026) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is cyclopenten-1-yl-[8-(cyclopentylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

Compound Namecyclopenten-1-yl-[8-(cyclopentylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
PubChem CID131644026
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Namecyclopenten-1-yl-[8-(cyclopentylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
SMILESO=C(C1=CCCC1)N1CC2(CC(OCC3CCCC3)CCO2)C1
InChIInChI=1S/C19H29NO3/c21-18(16-7-3-4-8-16)20-13-19(14-20)11-17(9-10-23-19)22-12-15-5-1-2-6-15/h7,15,17H,1-6,8-14H2
InChIKeyVXTUQTLLEAAIDV-UHFFFAOYSA-N
XLogP3.06
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopenten-1-yl-[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131662587
[(8S)-8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methoxyphenyl)methanone
CID 124819828
[(8S)-8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(furan-2-yl)methanone
CID 124787501
furan-3-yl-[(8R)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124797123
[8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4,5-difluoro-2-methylphenyl)methanone
CID 131654505
[8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-quinolin-2-ylmethanone
CID 131660368
2-cyclopropyl-1-[(8S)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124788334
3-(4-chlorophenyl)-1-[(8S)-8-(cyclopropylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]propan-1-one
CID 124797121
2-(4-fluorophenyl)-1-[(8R)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124792285
2-(4-methylphenyl)-1-[(8R)-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124796344
8-(cyclopentylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 133139412
N-[(5R,9S)-2-(cyclohexene-1-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
CID 97423428

Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-[8-(cyclopentylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The IUPAC name of cyclopenten-1-yl-[8-(cyclopentylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (CID 131644026) is cyclopenten-1-yl-[8-(cyclopentylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.
What is the SMILES notation for cyclopenten-1-yl-[8-(cyclopentylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The canonical SMILES for cyclopenten-1-yl-[8-(cyclopentylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is O=C(C1=CCCC1)N1CC2(CC(OCC3CCCC3)CCO2)C1.
What is the InChIKey of cyclopenten-1-yl-[8-(cyclopentylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
The InChIKey is VXTUQTLLEAAIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c21-18(16-7-3-4-8-16)20-13-19(14-20)11-17(9-10-23-19)22-12-15-5-1-2-6-15/h7,15,17H,1-6,8-14H2.
What are the key properties of cyclopenten-1-yl-[8-(cyclopentylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?
cyclopenten-1-yl-[8-(cyclopentylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 319.45 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl-[8-(cyclopentylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 131644026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).