2-[(3S)-3-hydroxypiperidin-1-yl]-1-[3-(2-methoxyphenoxy)azetidin-1-yl]ethanone

C17H24N2O4 — CID 97195949

IUPAC2-[(3S)-3-hydroxypiperidin-1-yl]-1-[3-(2-methoxyphenoxy)azetidin-1-yl]ethanone
SMILESCOc1ccccc1OC1CN(C(=O)CN2CCC[C@H](O)C2)C1
InChIInChI=1S/C17H24N2O4/c1-22-15-6-2-3-7-16(15)23-14-10-19(11-14)17(21)12-18-8-4-5-13(20)9-18/h2-3,6-7,13-14,20H,4-5,8-12H2,1H3/t13-/m0/s1
InChIKeyCPEMSCSACFSPNX-ZDUSSCGKSA-N
MW320.39 g/mol
LogP0.74
Rot. Bonds5

About 2-[(3S)-3-hydroxypiperidin-1-yl]-1-[3-(2-methoxyphenoxy)azetidin-1-yl]ethanone

2-[(3S)-3-hydroxypiperidin-1-yl]-1-[3-(2-methoxyphenoxy)azetidin-1-yl]ethanone (PubChem CID 97195949) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[(3S)-3-hydroxypiperidin-1-yl]-1-[3-(2-methoxyphenoxy)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(3S)-3-hydroxypiperidin-1-yl]-1-[3-(2-methoxyphenoxy)azetidin-1-yl]ethanone
PubChem CID97195949
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name2-[(3S)-3-hydroxypiperidin-1-yl]-1-[3-(2-methoxyphenoxy)azetidin-1-yl]ethanone
SMILESCOc1ccccc1OC1CN(C(=O)CN2CCC[C@H](O)C2)C1
InChIInChI=1S/C17H24N2O4/c1-22-15-6-2-3-7-16(15)23-14-10-19(11-14)17(21)12-18-8-4-5-13(20)9-18/h2-3,6-7,13-14,20H,4-5,8-12H2,1H3/t13-/m0/s1
InChIKeyCPEMSCSACFSPNX-ZDUSSCGKSA-N
XLogP0.74
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3S)-3-hydroxypiperidin-1-yl]-1-[3-(2-methoxyphenoxy)azetidin-1-yl]ethanone with MolForge

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Related Compounds

2-[(3R)-3-hydroxypiperidin-1-yl]-1-[3-(2-methoxyphenoxy)azetidin-1-yl]ethanone
CID 97195950
2-[(3S)-3-hydroxypiperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 31478295
2-methoxy-1-[(3R)-3-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]piperidin-1-yl]ethanone
CID 97149104
3-[3-(2-methoxyphenoxy)piperidin-1-yl]propanoic acid
CID 84755639
2-[2-[3-(2-methoxyphenoxy)azetidin-1-yl]-2-oxoethyl]-2-azaspiro[4.4]nonan-3-one
CID 72889863
2-(3-hydroxypiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 60645203
2-(3-hydroxypiperidin-1-yl)-1-[(3R,4S)-3-(3-methoxyphenyl)-4-(thiadiazol-4-yl)pyrrolidin-1-yl]ethanone
CID 110216339
2-hydroxy-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70754980
1-(azocan-1-yl)-2-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 107226024
1-(azepan-1-yl)-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone
CID 129367078
3-[3-(2-methoxyphenoxy)azetidin-1-yl]cyclohexan-1-ol
CID 163258410
1-(3-bromo-4-methoxyphenyl)-2-(3-hydroxypiperidin-1-yl)ethanone
CID 60680649

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-hydroxypiperidin-1-yl]-1-[3-(2-methoxyphenoxy)azetidin-1-yl]ethanone?
The IUPAC name of 2-[(3S)-3-hydroxypiperidin-1-yl]-1-[3-(2-methoxyphenoxy)azetidin-1-yl]ethanone (CID 97195949) is 2-[(3S)-3-hydroxypiperidin-1-yl]-1-[3-(2-methoxyphenoxy)azetidin-1-yl]ethanone.
What is the SMILES notation for 2-[(3S)-3-hydroxypiperidin-1-yl]-1-[3-(2-methoxyphenoxy)azetidin-1-yl]ethanone?
The canonical SMILES for 2-[(3S)-3-hydroxypiperidin-1-yl]-1-[3-(2-methoxyphenoxy)azetidin-1-yl]ethanone is COc1ccccc1OC1CN(C(=O)CN2CCC[C@H](O)C2)C1.
What is the InChIKey of 2-[(3S)-3-hydroxypiperidin-1-yl]-1-[3-(2-methoxyphenoxy)azetidin-1-yl]ethanone?
The InChIKey is CPEMSCSACFSPNX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-22-15-6-2-3-7-16(15)23-14-10-19(11-14)17(21)12-18-8-4-5-13(20)9-18/h2-3,6-7,13-14,20H,4-5,8-12H2,1H3/t13-/m0/s1.
What are the key properties of 2-[(3S)-3-hydroxypiperidin-1-yl]-1-[3-(2-methoxyphenoxy)azetidin-1-yl]ethanone?
2-[(3S)-3-hydroxypiperidin-1-yl]-1-[3-(2-methoxyphenoxy)azetidin-1-yl]ethanone has a molecular weight of 320.39 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-hydroxypiperidin-1-yl]-1-[3-(2-methoxyphenoxy)azetidin-1-yl]ethanone is sourced from PubChem (CID 97195949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).