6-[(2R)-1-benzylpiperidin-2-yl]-3,4-dihydro-2H-oxepin-7-one

C18H23NO2 — CID 134979702

IUPAC6-[(2R)-1-benzylpiperidin-2-yl]-3,4-dihydro-2H-oxepin-7-one
SMILESO=C1OCCCC=C1[C@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C18H23NO2/c20-18-16(10-5-7-13-21-18)17-11-4-6-12-19(17)14-15-8-2-1-3-9-15/h1-3,8-10,17H,4-7,11-14H2/t17-/m1/s1
InChIKeyUQOCCOVSMOHMMZ-QGZVFWFLSA-N
MW285.39 g/mol
LogP3.30
Rot. Bonds3

About 6-[(2R)-1-benzylpiperidin-2-yl]-3,4-dihydro-2H-oxepin-7-one

6-[(2R)-1-benzylpiperidin-2-yl]-3,4-dihydro-2H-oxepin-7-one (PubChem CID 134979702) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 6-[(2R)-1-benzylpiperidin-2-yl]-3,4-dihydro-2H-oxepin-7-one.

Molecular Properties

Compound Name6-[(2R)-1-benzylpiperidin-2-yl]-3,4-dihydro-2H-oxepin-7-one
PubChem CID134979702
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name6-[(2R)-1-benzylpiperidin-2-yl]-3,4-dihydro-2H-oxepin-7-one
SMILESO=C1OCCCC=C1[C@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C18H23NO2/c20-18-16(10-5-7-13-21-18)17-11-4-6-12-19(17)14-15-8-2-1-3-9-15/h1-3,8-10,17H,4-7,11-14H2/t17-/m1/s1
InChIKeyUQOCCOVSMOHMMZ-QGZVFWFLSA-N
XLogP3.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3,4,5,5a,6,8,9,9a-octahydro-2H-benzo[b]azepin-7-one
CID 83488594
(2R)-1-benzyl-2-thiophen-3-ylpiperidine
CID 124500980
5-[(2S)-1-benzylpiperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 95051321
1-benzyl-2-fluoropiperidine
CID 54431864
(2R)-1-benzylpiperidin-2-amine
CID 97050484
1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722
5-(1-benzylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 53191859
(4aR,8aR)-4-benzyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 86634407
5-(1-benzylpiperidin-2-yl)-2-piperidin-1-ylpyridine
CID 102541519
4-[5-(1-benzylpiperidin-2-yl)-4-methyl-2-pyridinyl]morpholine
CID 102543280
(2R)-1-benzyl-2-[(E)-3-phenylprop-1-enyl]piperidine
CID 11022672
2-(1-benzylpiperidin-2-yl)-3-methylpyridine
CID 102539039

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-1-benzylpiperidin-2-yl]-3,4-dihydro-2H-oxepin-7-one?
The IUPAC name of 6-[(2R)-1-benzylpiperidin-2-yl]-3,4-dihydro-2H-oxepin-7-one (CID 134979702) is 6-[(2R)-1-benzylpiperidin-2-yl]-3,4-dihydro-2H-oxepin-7-one.
What is the SMILES notation for 6-[(2R)-1-benzylpiperidin-2-yl]-3,4-dihydro-2H-oxepin-7-one?
The canonical SMILES for 6-[(2R)-1-benzylpiperidin-2-yl]-3,4-dihydro-2H-oxepin-7-one is O=C1OCCCC=C1[C@H]1CCCCN1Cc1ccccc1.
What is the InChIKey of 6-[(2R)-1-benzylpiperidin-2-yl]-3,4-dihydro-2H-oxepin-7-one?
The InChIKey is UQOCCOVSMOHMMZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H23NO2/c20-18-16(10-5-7-13-21-18)17-11-4-6-12-19(17)14-15-8-2-1-3-9-15/h1-3,8-10,17H,4-7,11-14H2/t17-/m1/s1.
What are the key properties of 6-[(2R)-1-benzylpiperidin-2-yl]-3,4-dihydro-2H-oxepin-7-one?
6-[(2R)-1-benzylpiperidin-2-yl]-3,4-dihydro-2H-oxepin-7-one has a molecular weight of 285.39 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-1-benzylpiperidin-2-yl]-3,4-dihydro-2H-oxepin-7-one is sourced from PubChem (CID 134979702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).