[(3R)-3-(2-hydroxypropyl)-1-oxa-4-azaspiro[4.4]nonan-4-yl]-phenylmethanone

C17H23NO3 — CID 10493667

IUPAC[(3R)-3-(2-hydroxypropyl)-1-oxa-4-azaspiro[4.4]nonan-4-yl]-phenylmethanone
SMILESCC(O)C[C@@H]1COC2(CCCC2)N1C(=O)c1ccccc1
InChIInChI=1S/C17H23NO3/c1-13(19)11-15-12-21-17(9-5-6-10-17)18(15)16(20)14-7-3-2-4-8-14/h2-4,7-8,13,15,19H,5-6,9-12H2,1H3/t13?,15-/m1/s1
InChIKeyLCAVSKGDUBYOAK-AWKYBWMHSA-N
MW289.37 g/mol
LogP2.57
Rot. Bonds3

About [(3R)-3-(2-hydroxypropyl)-1-oxa-4-azaspiro[4.4]nonan-4-yl]-phenylmethanone

[(3R)-3-(2-hydroxypropyl)-1-oxa-4-azaspiro[4.4]nonan-4-yl]-phenylmethanone (PubChem CID 10493667) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is [(3R)-3-(2-hydroxypropyl)-1-oxa-4-azaspiro[4.4]nonan-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3R)-3-(2-hydroxypropyl)-1-oxa-4-azaspiro[4.4]nonan-4-yl]-phenylmethanone
PubChem CID10493667
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name[(3R)-3-(2-hydroxypropyl)-1-oxa-4-azaspiro[4.4]nonan-4-yl]-phenylmethanone
SMILESCC(O)C[C@@H]1COC2(CCCC2)N1C(=O)c1ccccc1
InChIInChI=1S/C17H23NO3/c1-13(19)11-15-12-21-17(9-5-6-10-17)18(15)16(20)14-7-3-2-4-8-14/h2-4,7-8,13,15,19H,5-6,9-12H2,1H3/t13?,15-/m1/s1
InChIKeyLCAVSKGDUBYOAK-AWKYBWMHSA-N
XLogP2.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-methyl-1-oxa-4-azaspiro[4.6]undecan-4-yl]-phenylmethanone
CID 101140234
phenyl-[(3S)-3-phenyl-1-oxa-4-azaspiro[4.4]nonan-4-yl]methanone
CID 10614697
(3S)-4-(4-phenylbenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 95657753
(3S)-4-benzoyl-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 95657837
4-benzoyl-8-(2-methylpropanoyl)-N-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42882224
(3S)-4-(4-chlorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 95657713
4-benzoyl-N-(2-morpholin-4-ylethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 46110761
4-(3-methoxybenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 75360265
4-(3-fluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 75360256
(3S)-4-(pyridine-3-carbonyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 95657787
(3R)-4-benzoyl-8-(3-methylbenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137358
1-[4-benzoyl-3-(2-methylpiperidine-1-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one
CID 46110693

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(2-hydroxypropyl)-1-oxa-4-azaspiro[4.4]nonan-4-yl]-phenylmethanone?
The IUPAC name of [(3R)-3-(2-hydroxypropyl)-1-oxa-4-azaspiro[4.4]nonan-4-yl]-phenylmethanone (CID 10493667) is [(3R)-3-(2-hydroxypropyl)-1-oxa-4-azaspiro[4.4]nonan-4-yl]-phenylmethanone.
What is the SMILES notation for [(3R)-3-(2-hydroxypropyl)-1-oxa-4-azaspiro[4.4]nonan-4-yl]-phenylmethanone?
The canonical SMILES for [(3R)-3-(2-hydroxypropyl)-1-oxa-4-azaspiro[4.4]nonan-4-yl]-phenylmethanone is CC(O)C[C@@H]1COC2(CCCC2)N1C(=O)c1ccccc1.
What is the InChIKey of [(3R)-3-(2-hydroxypropyl)-1-oxa-4-azaspiro[4.4]nonan-4-yl]-phenylmethanone?
The InChIKey is LCAVSKGDUBYOAK-AWKYBWMHSA-N. The full InChI is InChI=1S/C17H23NO3/c1-13(19)11-15-12-21-17(9-5-6-10-17)18(15)16(20)14-7-3-2-4-8-14/h2-4,7-8,13,15,19H,5-6,9-12H2,1H3/t13?,15-/m1/s1.
What are the key properties of [(3R)-3-(2-hydroxypropyl)-1-oxa-4-azaspiro[4.4]nonan-4-yl]-phenylmethanone?
[(3R)-3-(2-hydroxypropyl)-1-oxa-4-azaspiro[4.4]nonan-4-yl]-phenylmethanone has a molecular weight of 289.37 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(2-hydroxypropyl)-1-oxa-4-azaspiro[4.4]nonan-4-yl]-phenylmethanone is sourced from PubChem (CID 10493667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).