[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]-[(2S,3S)-2-methyloxan-3-yl]methanone

C20H29NO4 — CID 129400331

IUPAC[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]-[(2S,3S)-2-methyloxan-3-yl]methanone
SMILESCOc1ccccc1COC1CCN(C(=O)[C@H]2CCCO[C@H]2C)CC1
InChIInChI=1S/C20H29NO4/c1-15-18(7-5-13-24-15)20(22)21-11-9-17(10-12-21)25-14-16-6-3-4-8-19(16)23-2/h3-4,6,8,15,17-18H,5,7,9-14H2,1-2H3/t15-,18-/m0/s1
InChIKeyAFWFOXROVYWCGD-YJBOKZPZSA-N
MW347.45 g/mol
LogP3.02
Rot. Bonds5

About [4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]-[(2S,3S)-2-methyloxan-3-yl]methanone

[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]-[(2S,3S)-2-methyloxan-3-yl]methanone (PubChem CID 129400331) has the molecular formula C20H29NO4 and a molecular weight of 347.45 g/mol. Its IUPAC name is [4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]-[(2S,3S)-2-methyloxan-3-yl]methanone.

Molecular Properties

Compound Name[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]-[(2S,3S)-2-methyloxan-3-yl]methanone
PubChem CID129400331
Molecular FormulaC20H29NO4
Molecular Weight347.45 g/mol
Exact Mass347.21
IUPAC Name[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]-[(2S,3S)-2-methyloxan-3-yl]methanone
SMILESCOc1ccccc1COC1CCN(C(=O)[C@H]2CCCO[C@H]2C)CC1
InChIInChI=1S/C20H29NO4/c1-15-18(7-5-13-24-15)20(22)21-11-9-17(10-12-21)25-14-16-6-3-4-8-19(16)23-2/h3-4,6,8,15,17-18H,5,7,9-14H2,1-2H3/t15-,18-/m0/s1
InChIKeyAFWFOXROVYWCGD-YJBOKZPZSA-N
XLogP3.02
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]-[(2S,3S)-2-methyloxan-3-yl]methanone?
The IUPAC name of [4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]-[(2S,3S)-2-methyloxan-3-yl]methanone (CID 129400331) is [4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]-[(2S,3S)-2-methyloxan-3-yl]methanone.
What is the SMILES notation for [4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]-[(2S,3S)-2-methyloxan-3-yl]methanone?
The canonical SMILES for [4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]-[(2S,3S)-2-methyloxan-3-yl]methanone is COc1ccccc1COC1CCN(C(=O)[C@H]2CCCO[C@H]2C)CC1.
What is the InChIKey of [4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]-[(2S,3S)-2-methyloxan-3-yl]methanone?
The InChIKey is AFWFOXROVYWCGD-YJBOKZPZSA-N. The full InChI is InChI=1S/C20H29NO4/c1-15-18(7-5-13-24-15)20(22)21-11-9-17(10-12-21)25-14-16-6-3-4-8-19(16)23-2/h3-4,6,8,15,17-18H,5,7,9-14H2,1-2H3/t15-,18-/m0/s1.
What are the key properties of [4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]-[(2S,3S)-2-methyloxan-3-yl]methanone?
[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]-[(2S,3S)-2-methyloxan-3-yl]methanone has a molecular weight of 347.45 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]-[(2S,3S)-2-methyloxan-3-yl]methanone is sourced from PubChem (CID 129400331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).