[(3S)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone

C19H31NO4 — CID 97418259

IUPAC[(3S)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CCC2(CC1)CO[C@H](COCC1CC1)C2
InChIInChI=1S/C19H31NO4/c21-18(16-3-9-22-10-4-16)20-7-5-19(6-8-20)11-17(24-14-19)13-23-12-15-1-2-15/h15-17H,1-14H2/t17-/m0/s1
InChIKeyWTJQRMWFCZWCIZ-KRWDZBQOSA-N
MW337.46 g/mol
LogP2.24
Rot. Bonds5

About [(3S)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone

[(3S)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone (PubChem CID 97418259) has the molecular formula C19H31NO4 and a molecular weight of 337.46 g/mol. Its IUPAC name is [(3S)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone
PubChem CID97418259
Molecular FormulaC19H31NO4
Molecular Weight337.46 g/mol
Exact Mass337.23
IUPAC Name[(3S)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CCC2(CC1)CO[C@H](COCC1CC1)C2
InChIInChI=1S/C19H31NO4/c21-18(16-3-9-22-10-4-16)20-7-5-19(6-8-20)11-17(24-14-19)13-23-12-15-1-2-15/h15-17H,1-14H2/t17-/m0/s1
InChIKeyWTJQRMWFCZWCIZ-KRWDZBQOSA-N
XLogP2.24
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone with MolForge

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Related Compounds

[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone
CID 97418040
[3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyrrolidin-1-ylmethanone
CID 131654766
1-[(3R)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-(dimethylamino)ethanone
CID 97418249
1-[(3R)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-ethoxyethanone
CID 97418251
[3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone
CID 131657640
1-[(3R)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-phenylpropan-1-one
CID 97474658
1-[(3S)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-phenoxyethanone
CID 97418240
[(3R)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone
CID 97418203
[3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylphenyl)methanone
CID 131648091
[(3S)-3-(cyclopentylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(furan-2-yl)methanone
CID 97418282
N,N-dimethyl-2-[[8-(oxan-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide
CID 131657076
(3R)-8-(furan-3-ylmethyl)-3-(oxan-4-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 97418289

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone?
The IUPAC name of [(3S)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone (CID 97418259) is [(3S)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [(3S)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [(3S)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone is O=C(C1CCOCC1)N1CCC2(CC1)CO[C@H](COCC1CC1)C2.
What is the InChIKey of [(3S)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone?
The InChIKey is WTJQRMWFCZWCIZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H31NO4/c21-18(16-3-9-22-10-4-16)20-7-5-19(6-8-20)11-17(24-14-19)13-23-12-15-1-2-15/h15-17H,1-14H2/t17-/m0/s1.
What are the key properties of [(3S)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone?
[(3S)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone has a molecular weight of 337.46 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 97418259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).