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

C19H34N2O3S — CID 140622055

IUPAC2-(4-methoxycyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide
SMILESCOC1CCC(OCC(=O)N(CC2CCCS2)C2CCCCN2)CC1
InChIInChI=1S/C19H34N2O3S/c1-23-15-7-9-16(10-8-15)24-14-19(22)21(13-17-5-4-12-25-17)18-6-2-3-11-20-18/h15-18,20H,2-14H2,1H3
InChIKeyHDNPHAZSXMNDTH-UHFFFAOYSA-N
MW370.56 g/mol
LogP2.78
Rot. Bonds7

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

2-(4-methoxycyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide (PubChem CID 140622055) has the molecular formula C19H34N2O3S and a molecular weight of 370.56 g/mol. Its IUPAC name is 2-(4-methoxycyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-methoxycyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide
PubChem CID140622055
Molecular FormulaC19H34N2O3S
Molecular Weight370.56 g/mol
Exact Mass370.23
IUPAC Name2-(4-methoxycyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide
SMILESCOC1CCC(OCC(=O)N(CC2CCCS2)C2CCCCN2)CC1
InChIInChI=1S/C19H34N2O3S/c1-23-15-7-9-16(10-8-15)24-14-19(22)21(13-17-5-4-12-25-17)18-6-2-3-11-20-18/h15-18,20H,2-14H2,1H3
InChIKeyHDNPHAZSXMNDTH-UHFFFAOYSA-N
XLogP2.78
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxycyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-methoxycyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide (CID 140622055) is 2-(4-methoxycyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-methoxycyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-methoxycyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide is COC1CCC(OCC(=O)N(CC2CCCS2)C2CCCCN2)CC1.
What is the InChIKey of 2-(4-methoxycyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide?
The InChIKey is HDNPHAZSXMNDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O3S/c1-23-15-7-9-16(10-8-15)24-14-19(22)21(13-17-5-4-12-25-17)18-6-2-3-11-20-18/h15-18,20H,2-14H2,1H3.
What are the key properties of 2-(4-methoxycyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide?
2-(4-methoxycyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide has a molecular weight of 370.56 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxycyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide is sourced from PubChem (CID 140622055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).