2-methoxy-1-[(3R)-3-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]piperidin-1-yl]ethanone

C19H26N2O5 — CID 97149104

IUPAC2-methoxy-1-[(3R)-3-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC[C@@H](C(=O)N2CC(Oc3ccccc3OC)C2)C1
InChIInChI=1S/C19H26N2O5/c1-24-13-18(22)20-9-5-6-14(10-20)19(23)21-11-15(12-21)26-17-8-4-3-7-16(17)25-2/h3-4,7-8,14-15H,5-6,9-13H2,1-2H3/t14-/m1/s1
InChIKeyPPHNEWRVXNYTGG-CQSZACIVSA-N
MW362.43 g/mol
LogP1.17
Rot. Bonds6

About 2-methoxy-1-[(3R)-3-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]piperidin-1-yl]ethanone

2-methoxy-1-[(3R)-3-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 97149104) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-methoxy-1-[(3R)-3-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[(3R)-3-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID97149104
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name2-methoxy-1-[(3R)-3-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC[C@@H](C(=O)N2CC(Oc3ccccc3OC)C2)C1
InChIInChI=1S/C19H26N2O5/c1-24-13-18(22)20-9-5-6-14(10-20)19(23)21-11-15(12-21)26-17-8-4-3-7-16(17)25-2/h3-4,7-8,14-15H,5-6,9-13H2,1-2H3/t14-/m1/s1
InChIKeyPPHNEWRVXNYTGG-CQSZACIVSA-N
XLogP1.17
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[(3R)-3-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[(3R)-3-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]piperidin-1-yl]ethanone (CID 97149104) is 2-methoxy-1-[(3R)-3-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[(3R)-3-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[(3R)-3-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]piperidin-1-yl]ethanone is COCC(=O)N1CCC[C@@H](C(=O)N2CC(Oc3ccccc3OC)C2)C1.
What is the InChIKey of 2-methoxy-1-[(3R)-3-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is PPHNEWRVXNYTGG-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-24-13-18(22)20-9-5-6-14(10-20)19(23)21-11-15(12-21)26-17-8-4-3-7-16(17)25-2/h3-4,7-8,14-15H,5-6,9-13H2,1-2H3/t14-/m1/s1.
What are the key properties of 2-methoxy-1-[(3R)-3-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]piperidin-1-yl]ethanone?
2-methoxy-1-[(3R)-3-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 362.43 g/mol, XLogP of 1.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[(3R)-3-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 97149104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).