2-(4-fluorocyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide

C18H31FN2O2S — CID 140621979

IUPAC2-(4-fluorocyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide
SMILESO=C(COC1CCC(F)CC1)N(CC1CCCS1)C1CCCNC1
InChIInChI=1S/C18H31FN2O2S/c19-14-5-7-16(8-6-14)23-13-18(22)21(12-17-4-2-10-24-17)15-3-1-9-20-11-15/h14-17,20H,1-13H2
InChIKeySPTCCAGEGDHHSO-UHFFFAOYSA-N
MW358.52 g/mol
LogP2.76
Rot. Bonds6

About 2-(4-fluorocyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide

2-(4-fluorocyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide (PubChem CID 140621979) has the molecular formula C18H31FN2O2S and a molecular weight of 358.52 g/mol. Its IUPAC name is 2-(4-fluorocyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorocyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide
PubChem CID140621979
Molecular FormulaC18H31FN2O2S
Molecular Weight358.52 g/mol
Exact Mass358.21
IUPAC Name2-(4-fluorocyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide
SMILESO=C(COC1CCC(F)CC1)N(CC1CCCS1)C1CCCNC1
InChIInChI=1S/C18H31FN2O2S/c19-14-5-7-16(8-6-14)23-13-18(22)21(12-17-4-2-10-24-17)15-3-1-9-20-11-15/h14-17,20H,1-13H2
InChIKeySPTCCAGEGDHHSO-UHFFFAOYSA-N
XLogP2.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.52
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorocyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-fluorocyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide (CID 140621979) is 2-(4-fluorocyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-fluorocyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-fluorocyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide is O=C(COC1CCC(F)CC1)N(CC1CCCS1)C1CCCNC1.
What is the InChIKey of 2-(4-fluorocyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide?
The InChIKey is SPTCCAGEGDHHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31FN2O2S/c19-14-5-7-16(8-6-14)23-13-18(22)21(12-17-4-2-10-24-17)15-3-1-9-20-11-15/h14-17,20H,1-13H2.
What are the key properties of 2-(4-fluorocyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide?
2-(4-fluorocyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide has a molecular weight of 358.52 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorocyclohexyl)oxy-N-piperidin-3-yl-N-(thiolan-2-ylmethyl)acetamide is sourced from PubChem (CID 140621979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).