N-[1-(2-cyclohexyl-2-phenylethyl)piperidin-4-yl]-1,1-dioxothiolane-3-carboxamide

C24H36N2O3S — CID 110223508

IUPACN-[1-(2-cyclohexyl-2-phenylethyl)piperidin-4-yl]-1,1-dioxothiolane-3-carboxamide
SMILESO=C(NC1CCN(CC(c2ccccc2)C2CCCCC2)CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C24H36N2O3S/c27-24(21-13-16-30(28,29)18-21)25-22-11-14-26(15-12-22)17-23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1,3-4,7-8,20-23H,2,5-6,9-18H2,(H,25,27)
InChIKeyYWMBAZHNOGSFEB-UHFFFAOYSA-N
MW432.63 g/mol
LogP3.37
Rot. Bonds6

About N-[1-(2-cyclohexyl-2-phenylethyl)piperidin-4-yl]-1,1-dioxothiolane-3-carboxamide

N-[1-(2-cyclohexyl-2-phenylethyl)piperidin-4-yl]-1,1-dioxothiolane-3-carboxamide (PubChem CID 110223508) has the molecular formula C24H36N2O3S and a molecular weight of 432.63 g/mol. Its IUPAC name is N-[1-(2-cyclohexyl-2-phenylethyl)piperidin-4-yl]-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-cyclohexyl-2-phenylethyl)piperidin-4-yl]-1,1-dioxothiolane-3-carboxamide
PubChem CID110223508
Molecular FormulaC24H36N2O3S
Molecular Weight432.63 g/mol
Exact Mass432.24
IUPAC NameN-[1-(2-cyclohexyl-2-phenylethyl)piperidin-4-yl]-1,1-dioxothiolane-3-carboxamide
SMILESO=C(NC1CCN(CC(c2ccccc2)C2CCCCC2)CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C24H36N2O3S/c27-24(21-13-16-30(28,29)18-21)25-22-11-14-26(15-12-22)17-23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1,3-4,7-8,20-23H,2,5-6,9-18H2,(H,25,27)
InChIKeyYWMBAZHNOGSFEB-UHFFFAOYSA-N
XLogP3.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.63
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyclohexyl-2-phenylethyl)piperidin-4-yl]-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-[1-(2-cyclohexyl-2-phenylethyl)piperidin-4-yl]-1,1-dioxothiolane-3-carboxamide (CID 110223508) is N-[1-(2-cyclohexyl-2-phenylethyl)piperidin-4-yl]-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-[1-(2-cyclohexyl-2-phenylethyl)piperidin-4-yl]-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-[1-(2-cyclohexyl-2-phenylethyl)piperidin-4-yl]-1,1-dioxothiolane-3-carboxamide is O=C(NC1CCN(CC(c2ccccc2)C2CCCCC2)CC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[1-(2-cyclohexyl-2-phenylethyl)piperidin-4-yl]-1,1-dioxothiolane-3-carboxamide?
The InChIKey is YWMBAZHNOGSFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O3S/c27-24(21-13-16-30(28,29)18-21)25-22-11-14-26(15-12-22)17-23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1,3-4,7-8,20-23H,2,5-6,9-18H2,(H,25,27).
What are the key properties of N-[1-(2-cyclohexyl-2-phenylethyl)piperidin-4-yl]-1,1-dioxothiolane-3-carboxamide?
N-[1-(2-cyclohexyl-2-phenylethyl)piperidin-4-yl]-1,1-dioxothiolane-3-carboxamide has a molecular weight of 432.63 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyclohexyl-2-phenylethyl)piperidin-4-yl]-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 110223508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).