2-cyclopentyl-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone

C15H25NO2 — CID 171937740

IUPAC2-cyclopentyl-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone
SMILESCN1C2COCC1CC(C(=O)CC1CCCC1)C2
InChIInChI=1S/C15H25NO2/c1-16-13-7-12(8-14(16)10-18-9-13)15(17)6-11-4-2-3-5-11/h11-14H,2-10H2,1H3
InChIKeyMWPWBLVPFWXRPT-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.24
Rot. Bonds3

About 2-cyclopentyl-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone

2-cyclopentyl-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone (PubChem CID 171937740) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-cyclopentyl-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone
PubChem CID171937740
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-cyclopentyl-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone
SMILESCN1C2COCC1CC(C(=O)CC1CCCC1)C2
InChIInChI=1S/C15H25NO2/c1-16-13-7-12(8-14(16)10-18-9-13)15(17)6-11-4-2-3-5-11/h11-14H,2-10H2,1H3
InChIKeyMWPWBLVPFWXRPT-UHFFFAOYSA-N
XLogP2.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Fluoro-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)hexan-1-one
CID 171938033
5-Fluoro-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one
CID 171938713
5,5,5-Trifluoro-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one
CID 171950151
2-Methyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one
CID 171938878
1-(1-Morpholin-4-ylcyclopentyl)-2-(oxan-4-yl)ethanone
CID 79058542
2-[1-(Oxan-2-ylmethyl)piperidin-2-yl]cyclopentan-1-one
CID 79545467
2-[4-[(3-Ethylcyclohexyl)methyl]morpholin-3-yl]cyclopentan-1-one
CID 86806725
(2S)-2-[(3S)-4-[[(1S,3R)-3-ethylcyclohexyl]methyl]morpholin-3-yl]cyclopentan-1-one
CID 99791919
1-(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(oxan-4-yl)ethanone
CID 112680740
2-[1-(Oxan-3-yl)piperidin-2-yl]cyclopentan-1-one
CID 113921562
(2S)-2-[(3R)-4-[[(1S,3R)-3-ethylcyclohexyl]methyl]morpholin-3-yl]cyclopentan-1-one
CID 124742108
(2R)-2-[(3R)-4-[[(1S,3R)-3-ethylcyclohexyl]methyl]morpholin-3-yl]cyclopentan-1-one
CID 124742109

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone?
The IUPAC name of 2-cyclopentyl-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone (CID 171937740) is 2-cyclopentyl-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone.
What is the SMILES notation for 2-cyclopentyl-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone?
The canonical SMILES for 2-cyclopentyl-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone is CN1C2COCC1CC(C(=O)CC1CCCC1)C2.
What is the InChIKey of 2-cyclopentyl-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone?
The InChIKey is MWPWBLVPFWXRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-16-13-7-12(8-14(16)10-18-9-13)15(17)6-11-4-2-3-5-11/h11-14H,2-10H2,1H3.
What are the key properties of 2-cyclopentyl-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone?
2-cyclopentyl-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone has a molecular weight of 251.37 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone is sourced from PubChem (CID 171937740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).