[1-(oxan-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone

C23H27NO3 — CID 45219197

IUPAC[1-(oxan-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)C1CCCN(C2CCOCC2)C1
InChIInChI=1S/C23H27NO3/c25-23(19-5-4-14-24(17-19)20-12-15-26-16-13-20)18-8-10-22(11-9-18)27-21-6-2-1-3-7-21/h1-3,6-11,19-20H,4-5,12-17H2
InChIKeyCQIIBMBQFPJHTO-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.55
Rot. Bonds5

About [1-(oxan-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone

[1-(oxan-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone (PubChem CID 45219197) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is [1-(oxan-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(oxan-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
PubChem CID45219197
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name[1-(oxan-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)C1CCCN(C2CCOCC2)C1
InChIInChI=1S/C23H27NO3/c25-23(19-5-4-14-24(17-19)20-12-15-26-16-13-20)18-8-10-22(11-9-18)27-21-6-2-1-3-7-21/h1-3,6-11,19-20H,4-5,12-17H2
InChIKeyCQIIBMBQFPJHTO-UHFFFAOYSA-N
XLogP4.55
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
CID 29185356
[1-(1-ethylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
CID 45195996
(4-phenoxyphenyl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 45178915
2-methylsulfanyl-1-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]ethanone
CID 42306399
3-[3-(4-phenoxybenzoyl)piperidin-1-yl]propanamide
CID 56863001
N,N-dimethyl-3-(4-phenoxybenzoyl)piperidine-1-sulfonamide
CID 45245950
1-[4-[(3R)-3-(4-phenylbenzoyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 42347424
(4-phenoxyphenyl)-[1-(pyridine-3-carbonyl)piperidin-3-yl]methanone
CID 45205792
N-[2-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]ethyl]acetamide
CID 95415351
[(3S)-1-(1-oxidopyridin-1-ium-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
CID 42147812
(4-phenoxyphenyl)-[1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone
CID 45229638
1-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 42094086

Frequently Asked Questions

What is the IUPAC name of [1-(oxan-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone?
The IUPAC name of [1-(oxan-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone (CID 45219197) is [1-(oxan-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone.
What is the SMILES notation for [1-(oxan-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone?
The canonical SMILES for [1-(oxan-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone is O=C(c1ccc(Oc2ccccc2)cc1)C1CCCN(C2CCOCC2)C1.
What is the InChIKey of [1-(oxan-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone?
The InChIKey is CQIIBMBQFPJHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c25-23(19-5-4-14-24(17-19)20-12-15-26-16-13-20)18-8-10-22(11-9-18)27-21-6-2-1-3-7-21/h1-3,6-11,19-20H,4-5,12-17H2.
What are the key properties of [1-(oxan-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone?
[1-(oxan-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone has a molecular weight of 365.47 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxan-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone is sourced from PubChem (CID 45219197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).