1-[(2S)-2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]-2-thiophen-3-ylethanone

C16H20F2N2O3S — CID 95872097

IUPAC1-[(2S)-2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCO[C@H](C(=O)N2CCC(F)(F)CC2)C1
InChIInChI=1S/C16H20F2N2O3S/c17-16(18)2-4-19(5-3-16)15(22)13-10-20(6-7-23-13)14(21)9-12-1-8-24-11-12/h1,8,11,13H,2-7,9-10H2/t13-/m0/s1
InChIKeyVCNDSLUPQZJPOA-ZDUSSCGKSA-N
MW358.41 g/mol
LogP1.78
Rot. Bonds3

About 1-[(2S)-2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]-2-thiophen-3-ylethanone

1-[(2S)-2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]-2-thiophen-3-ylethanone (PubChem CID 95872097) has the molecular formula C16H20F2N2O3S and a molecular weight of 358.41 g/mol. Its IUPAC name is 1-[(2S)-2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[(2S)-2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]-2-thiophen-3-ylethanone
PubChem CID95872097
Molecular FormulaC16H20F2N2O3S
Molecular Weight358.41 g/mol
Exact Mass358.12
IUPAC Name1-[(2S)-2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCO[C@H](C(=O)N2CCC(F)(F)CC2)C1
InChIInChI=1S/C16H20F2N2O3S/c17-16(18)2-4-19(5-3-16)15(22)13-10-20(6-7-23-13)14(21)9-12-1-8-24-11-12/h1,8,11,13H,2-7,9-10H2/t13-/m0/s1
InChIKeyVCNDSLUPQZJPOA-ZDUSSCGKSA-N
XLogP1.78
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[(2S)-2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]-2-thiophen-3-ylethanone (CID 95872097) is 1-[(2S)-2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[(2S)-2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[(2S)-2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)N1CCO[C@H](C(=O)N2CCC(F)(F)CC2)C1.
What is the InChIKey of 1-[(2S)-2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]-2-thiophen-3-ylethanone?
The InChIKey is VCNDSLUPQZJPOA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20F2N2O3S/c17-16(18)2-4-19(5-3-16)15(22)13-10-20(6-7-23-13)14(21)9-12-1-8-24-11-12/h1,8,11,13H,2-7,9-10H2/t13-/m0/s1.
What are the key properties of 1-[(2S)-2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]-2-thiophen-3-ylethanone?
1-[(2S)-2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]-2-thiophen-3-ylethanone has a molecular weight of 358.41 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 95872097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).