(5S)-7-[(3-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane

C15H21NO2 — CID 97374289

IUPAC(5S)-7-[(3-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane
SMILESCOc1cccc(CN2CC[C@@]3(CCCO3)C2)c1
InChIInChI=1S/C15H21NO2/c1-17-14-5-2-4-13(10-14)11-16-8-7-15(12-16)6-3-9-18-15/h2,4-5,10H,3,6-9,11-12H2,1H3/t15-/m0/s1
InChIKeyURFXVJJRVFWPJS-HNNXBMFYSA-N
MW247.34 g/mol
LogP2.45
Rot. Bonds3

About (5S)-7-[(3-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane

(5S)-7-[(3-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane (PubChem CID 97374289) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (5S)-7-[(3-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name(5S)-7-[(3-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane
PubChem CID97374289
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(5S)-7-[(3-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane
SMILESCOc1cccc(CN2CC[C@@]3(CCCO3)C2)c1
InChIInChI=1S/C15H21NO2/c1-17-14-5-2-4-13(10-14)11-16-8-7-15(12-16)6-3-9-18-15/h2,4-5,10H,3,6-9,11-12H2,1H3/t15-/m0/s1
InChIKeyURFXVJJRVFWPJS-HNNXBMFYSA-N
XLogP2.45
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5S)-7-[(3-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[(3-methoxyphenyl)methyl]-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 134077366
1-[4-[(3-methoxyphenyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
CID 131649622
9-[(3-methoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 175657618
2-benzyl-6-oxa-2-azaspiro[4.5]decane
CID 82390526
8-[(3-methoxyphenyl)methyl]-4-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 155877545
4-[(3-methoxyphenyl)methyl]-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 155877754
[9-[(3-methoxyphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-thiophen-3-ylmethanone
CID 155878851
7-[(3-methoxyphenyl)methyl]-2-oxa-7-azaspiro[3.5]nonane
CID 97374489
(3S)-3-ethoxy-8-[(3-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 97418798
2,2-difluoro-5-[(3-methoxyphenyl)methyl]-5-azaspiro[2.5]octane
CID 175649184
9-[(3-methoxyphenyl)methyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
CID 146674196
N-[(5R,9R)-2-[(3-methoxyphenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrazine-2-carboxamide
CID 155873123

Frequently Asked Questions

What is the IUPAC name of (5S)-7-[(3-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of (5S)-7-[(3-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane (CID 97374289) is (5S)-7-[(3-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for (5S)-7-[(3-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for (5S)-7-[(3-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane is COc1cccc(CN2CC[C@@]3(CCCO3)C2)c1.
What is the InChIKey of (5S)-7-[(3-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane?
The InChIKey is URFXVJJRVFWPJS-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-17-14-5-2-4-13(10-14)11-16-8-7-15(12-16)6-3-9-18-15/h2,4-5,10H,3,6-9,11-12H2,1H3/t15-/m0/s1.
What are the key properties of (5S)-7-[(3-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane?
(5S)-7-[(3-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane has a molecular weight of 247.34 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-[(3-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 97374289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).