1-(1,4-oxazepan-4-yl)-2-[1-(2-phenylethyl)piperidin-4-yl]ethanone

C20H30N2O2 — CID 92634114

IUPAC1-(1,4-oxazepan-4-yl)-2-[1-(2-phenylethyl)piperidin-4-yl]ethanone
SMILESO=C(CC1CCN(CCc2ccccc2)CC1)N1CCCOCC1
InChIInChI=1S/C20H30N2O2/c23-20(22-10-4-15-24-16-14-22)17-19-8-12-21(13-9-19)11-7-18-5-2-1-3-6-18/h1-3,5-6,19H,4,7-17H2
InChIKeyPOXNVFRJGFZCRL-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.58
Rot. Bonds5

About 1-(1,4-oxazepan-4-yl)-2-[1-(2-phenylethyl)piperidin-4-yl]ethanone

1-(1,4-oxazepan-4-yl)-2-[1-(2-phenylethyl)piperidin-4-yl]ethanone (PubChem CID 92634114) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-(1,4-oxazepan-4-yl)-2-[1-(2-phenylethyl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-(1,4-oxazepan-4-yl)-2-[1-(2-phenylethyl)piperidin-4-yl]ethanone
PubChem CID92634114
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name1-(1,4-oxazepan-4-yl)-2-[1-(2-phenylethyl)piperidin-4-yl]ethanone
SMILESO=C(CC1CCN(CCc2ccccc2)CC1)N1CCCOCC1
InChIInChI=1S/C20H30N2O2/c23-20(22-10-4-15-24-16-14-22)17-19-8-12-21(13-9-19)11-7-18-5-2-1-3-6-18/h1-3,5-6,19H,4,7-17H2
InChIKeyPOXNVFRJGFZCRL-UHFFFAOYSA-N
XLogP2.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Morpholin-4-yl)-3-phenylpropan-1-one
CID 532825
2-(3-Methylphenyl)-1-morpholin-4-ylethanone
CID 6470636
1-Morpholino-2,2-diphenylethanone
CID 229280
N-(2-morpholin-4-ylethyl)-4-phenylbutanamide
CID 885902
4-Methyl-9-(2-phenylethyl)-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 70552386
(2R)-2-ethyl-4-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561057
1-Morpholin-4-yl-2-phenylpropan-1-one
CID 11031349
2-(4-Fluorophenyl)-1-(morpholin-4-yl)ethan-1-one
CID 798469
2-(2-Methylphenyl)-1-morpholin-4-ylethanone
CID 6468639
Morpholin-4-yl(2-phenylcyclopropyl)methanone
CID 2838073
1-(Morpholin-4-yl)-4-phenylbutan-1-one
CID 288839
5-{[4-(2-Methoxyethyl)-1-piperazinyl]carbonyl}-1-(2-phenylethyl)-2-piperidinone
CID 24793163

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-oxazepan-4-yl)-2-[1-(2-phenylethyl)piperidin-4-yl]ethanone?
The IUPAC name of 1-(1,4-oxazepan-4-yl)-2-[1-(2-phenylethyl)piperidin-4-yl]ethanone (CID 92634114) is 1-(1,4-oxazepan-4-yl)-2-[1-(2-phenylethyl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-(1,4-oxazepan-4-yl)-2-[1-(2-phenylethyl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-(1,4-oxazepan-4-yl)-2-[1-(2-phenylethyl)piperidin-4-yl]ethanone is O=C(CC1CCN(CCc2ccccc2)CC1)N1CCCOCC1.
What is the InChIKey of 1-(1,4-oxazepan-4-yl)-2-[1-(2-phenylethyl)piperidin-4-yl]ethanone?
The InChIKey is POXNVFRJGFZCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c23-20(22-10-4-15-24-16-14-22)17-19-8-12-21(13-9-19)11-7-18-5-2-1-3-6-18/h1-3,5-6,19H,4,7-17H2.
What are the key properties of 1-(1,4-oxazepan-4-yl)-2-[1-(2-phenylethyl)piperidin-4-yl]ethanone?
1-(1,4-oxazepan-4-yl)-2-[1-(2-phenylethyl)piperidin-4-yl]ethanone has a molecular weight of 330.47 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-oxazepan-4-yl)-2-[1-(2-phenylethyl)piperidin-4-yl]ethanone is sourced from PubChem (CID 92634114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).