[4-[(2-fluorophenyl)methyl]oxan-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone

C19H27FN2O2 — CID 155986729

IUPAC[4-[(2-fluorophenyl)methyl]oxan-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCN1CCCN(C(=O)C2(Cc3ccccc3F)CCOCC2)CC1
InChIInChI=1S/C19H27FN2O2/c1-21-9-4-10-22(12-11-21)18(23)19(7-13-24-14-8-19)15-16-5-2-3-6-17(16)20/h2-3,5-6H,4,7-15H2,1H3
InChIKeyRYSKCFAZSNJSEA-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.33
Rot. Bonds3

About [4-[(2-fluorophenyl)methyl]oxan-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone

[4-[(2-fluorophenyl)methyl]oxan-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone (PubChem CID 155986729) has the molecular formula C19H27FN2O2 and a molecular weight of 334.43 g/mol. Its IUPAC name is [4-[(2-fluorophenyl)methyl]oxan-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name[4-[(2-fluorophenyl)methyl]oxan-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
PubChem CID155986729
Molecular FormulaC19H27FN2O2
Molecular Weight334.43 g/mol
Exact Mass334.21
IUPAC Name[4-[(2-fluorophenyl)methyl]oxan-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCN1CCCN(C(=O)C2(Cc3ccccc3F)CCOCC2)CC1
InChIInChI=1S/C19H27FN2O2/c1-21-9-4-10-22(12-11-21)18(23)19(7-13-24-14-8-19)15-16-5-2-3-6-17(16)20/h2-3,5-6H,4,7-15H2,1H3
InChIKeyRYSKCFAZSNJSEA-UHFFFAOYSA-N
XLogP2.33
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(2-fluorophenyl)methyl]oxane-4-carbonyl]-4-methylpiperidine-4-carboxamide
CID 110090804
[4-[(2-fluorophenyl)methyl]oxan-4-yl]-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 124986057
[4-[(2-fluorophenyl)methyl]oxan-4-yl]-[(4S)-4-(quinolin-3-ylmethyl)azepan-1-yl]methanone
CID 129455337
(5R)-7-[4-[(2-fluorophenyl)methyl]oxane-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 129459763
[(6R)-6-(1-benzofuran-4-ylmethyl)-1,4-oxazepan-4-yl]-[4-[(2-fluorophenyl)methyl]oxan-4-yl]methanone
CID 129454505
[4-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
CID 129457565
(4aS,7aS)-6-[4-[(2-fluorophenyl)methyl]oxane-4-carbonyl]-4-(2-phenylethyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 110150961
[1-[(2-fluorophenyl)methyl]cyclopropyl]-(9-methylimino-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-4-yl)methanone
CID 146114652
1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride
CID 120929572
[4-[(2-fluorophenyl)methyl]oxan-4-yl]methanol
CID 66024317
[4-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone
CID 110148859
[4-[(2-fluorophenyl)methyl]oxan-4-yl]-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
CID 110148840

Frequently Asked Questions

What is the IUPAC name of [4-[(2-fluorophenyl)methyl]oxan-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of [4-[(2-fluorophenyl)methyl]oxan-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone (CID 155986729) is [4-[(2-fluorophenyl)methyl]oxan-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for [4-[(2-fluorophenyl)methyl]oxan-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for [4-[(2-fluorophenyl)methyl]oxan-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone is CN1CCCN(C(=O)C2(Cc3ccccc3F)CCOCC2)CC1.
What is the InChIKey of [4-[(2-fluorophenyl)methyl]oxan-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The InChIKey is RYSKCFAZSNJSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-21-9-4-10-22(12-11-21)18(23)19(7-13-24-14-8-19)15-16-5-2-3-6-17(16)20/h2-3,5-6H,4,7-15H2,1H3.
What are the key properties of [4-[(2-fluorophenyl)methyl]oxan-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
[4-[(2-fluorophenyl)methyl]oxan-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone has a molecular weight of 334.43 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-fluorophenyl)methyl]oxan-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 155986729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).