[2-[(3,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-9-yl]-thiophen-2-ylmethanone

C19H20F2N2O2S — CID 134808144

IUPAC[2-[(3,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-9-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCOCC2(CN(Cc3cc(F)cc(F)c3)C2)C1
InChIInChI=1S/C19H20F2N2O2S/c20-15-6-14(7-16(21)8-15)9-22-10-19(11-22)12-23(3-4-25-13-19)18(24)17-2-1-5-26-17/h1-2,5-8H,3-4,9-13H2
InChIKeyRONBPYBFFAMIPH-UHFFFAOYSA-N
MW378.44 g/mol
LogP3.00
Rot. Bonds3

About [2-[(3,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-9-yl]-thiophen-2-ylmethanone

[2-[(3,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-9-yl]-thiophen-2-ylmethanone (PubChem CID 134808144) has the molecular formula C19H20F2N2O2S and a molecular weight of 378.44 g/mol. Its IUPAC name is [2-[(3,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-9-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[2-[(3,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-9-yl]-thiophen-2-ylmethanone
PubChem CID134808144
Molecular FormulaC19H20F2N2O2S
Molecular Weight378.44 g/mol
Exact Mass378.12
IUPAC Name[2-[(3,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-9-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCOCC2(CN(Cc3cc(F)cc(F)c3)C2)C1
InChIInChI=1S/C19H20F2N2O2S/c20-15-6-14(7-16(21)8-15)9-22-10-19(11-22)12-23(3-4-25-13-19)18(24)17-2-1-5-26-17/h1-2,5-8H,3-4,9-13H2
InChIKeyRONBPYBFFAMIPH-UHFFFAOYSA-N
XLogP3.00
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(5S)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone
CID 97384978
[(5R)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone
CID 97384979
[2-[(3,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-9-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 134806787
[2-[(3,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-9-yl]-(5-fluoro-3-pyridinyl)methanone
CID 134807086
[2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone
CID 131658564
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 828777
4-(4-fluorophenyl)-8-(thiophene-2-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 131656880
[(4S,5R)-2-(2-methoxyethyl)-4-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone
CID 97472410
(5-methylfuran-2-yl)-[2-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
CID 131658138
[(6S)-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-thiophen-2-ylmethanone
CID 97372929
pyrrolidin-1-yl-[2-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
CID 118743387
1H-pyrrol-2-yl-[2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
CID 134070761

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-9-yl]-thiophen-2-ylmethanone?
The IUPAC name of [2-[(3,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-9-yl]-thiophen-2-ylmethanone (CID 134808144) is [2-[(3,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-9-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [2-[(3,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-9-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [2-[(3,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-9-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCOCC2(CN(Cc3cc(F)cc(F)c3)C2)C1.
What is the InChIKey of [2-[(3,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-9-yl]-thiophen-2-ylmethanone?
The InChIKey is RONBPYBFFAMIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2S/c20-15-6-14(7-16(21)8-15)9-22-10-19(11-22)12-23(3-4-25-13-19)18(24)17-2-1-5-26-17/h1-2,5-8H,3-4,9-13H2.
What are the key properties of [2-[(3,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-9-yl]-thiophen-2-ylmethanone?
[2-[(3,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-9-yl]-thiophen-2-ylmethanone has a molecular weight of 378.44 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-9-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 134808144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).