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

C16H22F2N2O2S — CID 95870787

IUPAC1-(4,4-difluoropiperidin-1-yl)-2-[(3S)-4-(thiophen-3-ylmethyl)morpholin-3-yl]ethanone
SMILESO=C(C[C@H]1COCCN1Cc1ccsc1)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/t14-/m0/s1
InChIKeyXSVIEOKVBJQKAT-AWEZNQCLSA-N
MW344.43 g/mol
LogP2.60
Rot. Bonds4

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

1-(4,4-difluoropiperidin-1-yl)-2-[(3S)-4-(thiophen-3-ylmethyl)morpholin-3-yl]ethanone (PubChem CID 95870787) 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-[(3S)-4-(thiophen-3-ylmethyl)morpholin-3-yl]ethanone.

Molecular Properties

Compound Name1-(4,4-difluoropiperidin-1-yl)-2-[(3S)-4-(thiophen-3-ylmethyl)morpholin-3-yl]ethanone
PubChem CID95870787
Molecular FormulaC16H22F2N2O2S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Name1-(4,4-difluoropiperidin-1-yl)-2-[(3S)-4-(thiophen-3-ylmethyl)morpholin-3-yl]ethanone
SMILESO=C(C[C@H]1COCCN1Cc1ccsc1)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/t14-/m0/s1
InChIKeyXSVIEOKVBJQKAT-AWEZNQCLSA-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

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-2-[(3S)-4-(thiophen-3-ylmethyl)morpholin-3-yl]ethanone?
The IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-2-[(3S)-4-(thiophen-3-ylmethyl)morpholin-3-yl]ethanone (CID 95870787) is 1-(4,4-difluoropiperidin-1-yl)-2-[(3S)-4-(thiophen-3-ylmethyl)morpholin-3-yl]ethanone.
What is the SMILES notation for 1-(4,4-difluoropiperidin-1-yl)-2-[(3S)-4-(thiophen-3-ylmethyl)morpholin-3-yl]ethanone?
The canonical SMILES for 1-(4,4-difluoropiperidin-1-yl)-2-[(3S)-4-(thiophen-3-ylmethyl)morpholin-3-yl]ethanone is O=C(C[C@H]1COCCN1Cc1ccsc1)N1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluoropiperidin-1-yl)-2-[(3S)-4-(thiophen-3-ylmethyl)morpholin-3-yl]ethanone?
The InChIKey is XSVIEOKVBJQKAT-AWEZNQCLSA-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/t14-/m0/s1.
What are the key properties of 1-(4,4-difluoropiperidin-1-yl)-2-[(3S)-4-(thiophen-3-ylmethyl)morpholin-3-yl]ethanone?
1-(4,4-difluoropiperidin-1-yl)-2-[(3S)-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-[(3S)-4-(thiophen-3-ylmethyl)morpholin-3-yl]ethanone is sourced from PubChem (CID 95870787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).