1-(4,4-difluoropiperidin-1-yl)-2-[4-(thiophen-3-ylmethyl)morpholin-3-yl]ethanone

C16H22F2N2O2S — CID 56896100

IUPAC1-(4,4-difluoropiperidin-1-yl)-2-[4-(thiophen-3-ylmethyl)morpholin-3-yl]ethanone
SMILESO=C(CC1COCCN1Cc1ccsc1)N1CCC(F)(F)CC1
InChIInChI=1S/C16H22F2N2O2S/c17-16(18)2-4-19(5-3-16)15(21)9-14-11-22-7-6-20(14)10-13-1-8-23-12-13/h1,8,12,14H,2-7,9-11H2
InChIKeyXSVIEOKVBJQKAT-UHFFFAOYSA-N
MW344.43 g/mol
LogP2.60
Rot. Bonds4

About 1-(4,4-difluoropiperidin-1-yl)-2-[4-(thiophen-3-ylmethyl)morpholin-3-yl]ethanone

1-(4,4-difluoropiperidin-1-yl)-2-[4-(thiophen-3-ylmethyl)morpholin-3-yl]ethanone (PubChem CID 56896100) has the molecular formula C16H22F2N2O2S and a molecular weight of 344.43 g/mol. Its IUPAC name is 1-(4,4-difluoropiperidin-1-yl)-2-[4-(thiophen-3-ylmethyl)morpholin-3-yl]ethanone.

Molecular Properties

Compound Name1-(4,4-difluoropiperidin-1-yl)-2-[4-(thiophen-3-ylmethyl)morpholin-3-yl]ethanone
PubChem CID56896100
Molecular FormulaC16H22F2N2O2S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Name1-(4,4-difluoropiperidin-1-yl)-2-[4-(thiophen-3-ylmethyl)morpholin-3-yl]ethanone
SMILESO=C(CC1COCCN1Cc1ccsc1)N1CCC(F)(F)CC1
InChIInChI=1S/C16H22F2N2O2S/c17-16(18)2-4-19(5-3-16)15(21)9-14-11-22-7-6-20(14)10-13-1-8-23-12-13/h1,8,12,14H,2-7,9-11H2
InChIKeyXSVIEOKVBJQKAT-UHFFFAOYSA-N
XLogP2.60
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4,4-difluoropiperidin-1-yl)-2-[4-(thiophen-3-ylmethyl)morpholin-3-yl]ethanone with MolForge

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Related Compounds

Morpholin-4-yl-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]piperidin-4-yl]methanone
CID 24791492
(1-Ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-thiophen-3-ylmethanone
CID 97396263
4-{2-[1-(Thiophene-3-carbonyl)piperidin-2-YL]ethyl}morpholine
CID 53193439
4-[1-(Thiophen-3-ylmethyl)piperidin-4-yl]morpholin-3-one
CID 134788392
(1-Ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 118742653
[(3S)-3-fluoro-3-(morpholine-4-carbonyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 164636583
1-(4,4-difluoropiperidin-1-yl)-2-[(3S)-4-(thiophen-3-ylmethyl)morpholin-3-yl]ethanone
CID 95870787
1-(4,4-difluoropiperidin-1-yl)-2-[(3R)-4-(thiophen-3-ylmethyl)morpholin-3-yl]ethanone
CID 95870788
N-[6-[2-(2,2-difluoroethoxy)ethyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 132399385
4-{3-Fluoro-1-[(thiophen-3-YL)methyl]piperidine-3-carbonyl}morpholine
CID 132448401
4-[3-Fluoro-1-(thiophene-3-carbonyl)piperidine-3-carbonyl]morpholine
CID 132448407
1-[4-(Thiophen-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155829201

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-2-[4-(thiophen-3-ylmethyl)morpholin-3-yl]ethanone?
The IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-2-[4-(thiophen-3-ylmethyl)morpholin-3-yl]ethanone (CID 56896100) is 1-(4,4-difluoropiperidin-1-yl)-2-[4-(thiophen-3-ylmethyl)morpholin-3-yl]ethanone.
What is the SMILES notation for 1-(4,4-difluoropiperidin-1-yl)-2-[4-(thiophen-3-ylmethyl)morpholin-3-yl]ethanone?
The canonical SMILES for 1-(4,4-difluoropiperidin-1-yl)-2-[4-(thiophen-3-ylmethyl)morpholin-3-yl]ethanone is O=C(CC1COCCN1Cc1ccsc1)N1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluoropiperidin-1-yl)-2-[4-(thiophen-3-ylmethyl)morpholin-3-yl]ethanone?
The InChIKey is XSVIEOKVBJQKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O2S/c17-16(18)2-4-19(5-3-16)15(21)9-14-11-22-7-6-20(14)10-13-1-8-23-12-13/h1,8,12,14H,2-7,9-11H2.
What are the key properties of 1-(4,4-difluoropiperidin-1-yl)-2-[4-(thiophen-3-ylmethyl)morpholin-3-yl]ethanone?
1-(4,4-difluoropiperidin-1-yl)-2-[4-(thiophen-3-ylmethyl)morpholin-3-yl]ethanone has a molecular weight of 344.43 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoropiperidin-1-yl)-2-[4-(thiophen-3-ylmethyl)morpholin-3-yl]ethanone is sourced from PubChem (CID 56896100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).