3-methoxy-1-[4-[4-(oxazinane-2-carbonyl)phenoxy]piperidin-1-yl]propan-1-one

C20H28N2O5 — CID 42243815

IUPAC3-methoxy-1-[4-[4-(oxazinane-2-carbonyl)phenoxy]piperidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCC(Oc2ccc(C(=O)N3CCCCO3)cc2)CC1
InChIInChI=1S/C20H28N2O5/c1-25-15-10-19(23)21-12-8-18(9-13-21)27-17-6-4-16(5-7-17)20(24)22-11-2-3-14-26-22/h4-7,18H,2-3,8-15H2,1H3
InChIKeyLDIXRYGQRNXNDM-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.26
Rot. Bonds6

About 3-methoxy-1-[4-[4-(oxazinane-2-carbonyl)phenoxy]piperidin-1-yl]propan-1-one

3-methoxy-1-[4-[4-(oxazinane-2-carbonyl)phenoxy]piperidin-1-yl]propan-1-one (PubChem CID 42243815) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is 3-methoxy-1-[4-[4-(oxazinane-2-carbonyl)phenoxy]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-[4-[4-(oxazinane-2-carbonyl)phenoxy]piperidin-1-yl]propan-1-one
PubChem CID42243815
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Name3-methoxy-1-[4-[4-(oxazinane-2-carbonyl)phenoxy]piperidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCC(Oc2ccc(C(=O)N3CCCCO3)cc2)CC1
InChIInChI=1S/C20H28N2O5/c1-25-15-10-19(23)21-12-8-18(9-13-21)27-17-6-4-16(5-7-17)20(24)22-11-2-3-14-26-22/h4-7,18H,2-3,8-15H2,1H3
InChIKeyLDIXRYGQRNXNDM-UHFFFAOYSA-N
XLogP2.26
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-pyrrolidin-3-ylbenzamide
CID 72921247
4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(3-methoxypropyl)benzamide
CID 42509021
N-[(4R)-2,2-dimethyloxan-4-yl]-4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxybenzamide
CID 42463230
4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-methyl-N-[2-(oxan-2-yl)ethyl]benzamide
CID 45188135
1,2-oxazolidin-2-yl-[4-[1-(2-phenylethyl)piperidin-4-yl]oxyphenyl]methanone
CID 26326622
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 24817383
1-[1-[4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzoyl]piperidin-3-yl]propan-1-one
CID 70756480
2-methoxy-1-[4-[4-[(3R)-3-propoxypiperidine-1-carbonyl]phenoxy]piperidin-1-yl]ethanone
CID 42306322
2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70724680
(4-butoxyphenyl)-(1,2-oxazolidin-2-yl)methanone
CID 113375601
4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]benzamide
CID 42361309

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[4-[4-(oxazinane-2-carbonyl)phenoxy]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-methoxy-1-[4-[4-(oxazinane-2-carbonyl)phenoxy]piperidin-1-yl]propan-1-one (CID 42243815) is 3-methoxy-1-[4-[4-(oxazinane-2-carbonyl)phenoxy]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-methoxy-1-[4-[4-(oxazinane-2-carbonyl)phenoxy]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-methoxy-1-[4-[4-(oxazinane-2-carbonyl)phenoxy]piperidin-1-yl]propan-1-one is COCCC(=O)N1CCC(Oc2ccc(C(=O)N3CCCCO3)cc2)CC1.
What is the InChIKey of 3-methoxy-1-[4-[4-(oxazinane-2-carbonyl)phenoxy]piperidin-1-yl]propan-1-one?
The InChIKey is LDIXRYGQRNXNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-25-15-10-19(23)21-12-8-18(9-13-21)27-17-6-4-16(5-7-17)20(24)22-11-2-3-14-26-22/h4-7,18H,2-3,8-15H2,1H3.
What are the key properties of 3-methoxy-1-[4-[4-(oxazinane-2-carbonyl)phenoxy]piperidin-1-yl]propan-1-one?
3-methoxy-1-[4-[4-(oxazinane-2-carbonyl)phenoxy]piperidin-1-yl]propan-1-one has a molecular weight of 376.45 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[4-[4-(oxazinane-2-carbonyl)phenoxy]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 42243815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).