(2R,3R)-1-ethyl-2-(2-methylphenyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide

C18H26N2O2 — CID 110086978

IUPAC(2R,3R)-1-ethyl-2-(2-methylphenyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide
SMILESCCN1C(=O)CC[C@@H](C(=O)NC(C)C)[C@@H]1c1ccccc1C
InChIInChI=1S/C18H26N2O2/c1-5-20-16(21)11-10-15(18(22)19-12(2)3)17(20)14-9-7-6-8-13(14)4/h6-9,12,15,17H,5,10-11H2,1-4H3,(H,19,22)/t15-,17+/m1/s1
InChIKeyYNOWWWLDHCETCW-WBVHZDCISA-N
MW302.42 g/mol
LogP2.82
Rot. Bonds4

About (2R,3R)-1-ethyl-2-(2-methylphenyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide

(2R,3R)-1-ethyl-2-(2-methylphenyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 110086978) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (2R,3R)-1-ethyl-2-(2-methylphenyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-1-ethyl-2-(2-methylphenyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID110086978
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(2R,3R)-1-ethyl-2-(2-methylphenyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide
SMILESCCN1C(=O)CC[C@@H](C(=O)NC(C)C)[C@@H]1c1ccccc1C
InChIInChI=1S/C18H26N2O2/c1-5-20-16(21)11-10-15(18(22)19-12(2)3)17(20)14-9-7-6-8-13(14)4/h6-9,12,15,17H,5,10-11H2,1-4H3,(H,19,22)/t15-,17+/m1/s1
InChIKeyYNOWWWLDHCETCW-WBVHZDCISA-N
XLogP2.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-ethyl-2-(2-methylphenyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of (2R,3R)-1-ethyl-2-(2-methylphenyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide (CID 110086978) is (2R,3R)-1-ethyl-2-(2-methylphenyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-1-ethyl-2-(2-methylphenyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-1-ethyl-2-(2-methylphenyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide is CCN1C(=O)CC[C@@H](C(=O)NC(C)C)[C@@H]1c1ccccc1C.
What is the InChIKey of (2R,3R)-1-ethyl-2-(2-methylphenyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is YNOWWWLDHCETCW-WBVHZDCISA-N. The full InChI is InChI=1S/C18H26N2O2/c1-5-20-16(21)11-10-15(18(22)19-12(2)3)17(20)14-9-7-6-8-13(14)4/h6-9,12,15,17H,5,10-11H2,1-4H3,(H,19,22)/t15-,17+/m1/s1.
What are the key properties of (2R,3R)-1-ethyl-2-(2-methylphenyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide?
(2R,3R)-1-ethyl-2-(2-methylphenyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-ethyl-2-(2-methylphenyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 110086978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).