(3R)-N-(1-methylpiperidin-4-yl)-N-(3-methylsulfanylphenyl)oxolane-3-carboxamide

C18H26N2O2S — CID 124558480

IUPAC(3R)-N-(1-methylpiperidin-4-yl)-N-(3-methylsulfanylphenyl)oxolane-3-carboxamide
SMILESCSc1cccc(N(C(=O)[C@@H]2CCOC2)C2CCN(C)CC2)c1
InChIInChI=1S/C18H26N2O2S/c1-19-9-6-15(7-10-19)20(18(21)14-8-11-22-13-14)16-4-3-5-17(12-16)23-2/h3-5,12,14-15H,6-11,13H2,1-2H3/t14-/m1/s1
InChIKeyGVNOIZLCDURLFF-CQSZACIVSA-N
MW334.48 g/mol
LogP2.87
Rot. Bonds4

About (3R)-N-(1-methylpiperidin-4-yl)-N-(3-methylsulfanylphenyl)oxolane-3-carboxamide

(3R)-N-(1-methylpiperidin-4-yl)-N-(3-methylsulfanylphenyl)oxolane-3-carboxamide (PubChem CID 124558480) has the molecular formula C18H26N2O2S and a molecular weight of 334.48 g/mol. Its IUPAC name is (3R)-N-(1-methylpiperidin-4-yl)-N-(3-methylsulfanylphenyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1-methylpiperidin-4-yl)-N-(3-methylsulfanylphenyl)oxolane-3-carboxamide
PubChem CID124558480
Molecular FormulaC18H26N2O2S
Molecular Weight334.48 g/mol
Exact Mass334.17
IUPAC Name(3R)-N-(1-methylpiperidin-4-yl)-N-(3-methylsulfanylphenyl)oxolane-3-carboxamide
SMILESCSc1cccc(N(C(=O)[C@@H]2CCOC2)C2CCN(C)CC2)c1
InChIInChI=1S/C18H26N2O2S/c1-19-9-6-15(7-10-19)20(18(21)14-8-11-22-13-14)16-4-3-5-17(12-16)23-2/h3-5,12,14-15H,6-11,13H2,1-2H3/t14-/m1/s1
InChIKeyGVNOIZLCDURLFF-CQSZACIVSA-N
XLogP2.87
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1-methylpiperidin-4-yl)-N-(3-methylsulfanylphenyl)oxolane-3-carboxamide?
The IUPAC name of (3R)-N-(1-methylpiperidin-4-yl)-N-(3-methylsulfanylphenyl)oxolane-3-carboxamide (CID 124558480) is (3R)-N-(1-methylpiperidin-4-yl)-N-(3-methylsulfanylphenyl)oxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-(1-methylpiperidin-4-yl)-N-(3-methylsulfanylphenyl)oxolane-3-carboxamide?
The canonical SMILES for (3R)-N-(1-methylpiperidin-4-yl)-N-(3-methylsulfanylphenyl)oxolane-3-carboxamide is CSc1cccc(N(C(=O)[C@@H]2CCOC2)C2CCN(C)CC2)c1.
What is the InChIKey of (3R)-N-(1-methylpiperidin-4-yl)-N-(3-methylsulfanylphenyl)oxolane-3-carboxamide?
The InChIKey is GVNOIZLCDURLFF-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-19-9-6-15(7-10-19)20(18(21)14-8-11-22-13-14)16-4-3-5-17(12-16)23-2/h3-5,12,14-15H,6-11,13H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-N-(1-methylpiperidin-4-yl)-N-(3-methylsulfanylphenyl)oxolane-3-carboxamide?
(3R)-N-(1-methylpiperidin-4-yl)-N-(3-methylsulfanylphenyl)oxolane-3-carboxamide has a molecular weight of 334.48 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1-methylpiperidin-4-yl)-N-(3-methylsulfanylphenyl)oxolane-3-carboxamide is sourced from PubChem (CID 124558480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).