(3S)-1-[2-oxo-2-(2,2,4,6-tetramethylquinolin-1-yl)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide

C26H32N4O2 — CID 124985214

IUPAC(3S)-1-[2-oxo-2-(2,2,4,6-tetramethylquinolin-1-yl)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
SMILESCC1=CC(C)(C)N(C(=O)CN2CCC[C@@](C(N)=O)(c3ccccn3)C2)c2ccc(C)cc21
InChIInChI=1S/C26H32N4O2/c1-18-9-10-21-20(14-18)19(2)15-25(3,4)30(21)23(31)16-29-13-7-11-26(17-29,24(27)32)22-8-5-6-12-28-22/h5-6,8-10,12,14-15H,7,11,13,16-17H2,1-4H3,(H2,27,32)/t26-/m0/s1
InChIKeyNQEAYWXMHLEJOX-SANMLTNESA-N
MW432.57 g/mol
LogP3.44
Rot. Bonds4

About (3S)-1-[2-oxo-2-(2,2,4,6-tetramethylquinolin-1-yl)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide

(3S)-1-[2-oxo-2-(2,2,4,6-tetramethylquinolin-1-yl)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide (PubChem CID 124985214) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is (3S)-1-[2-oxo-2-(2,2,4,6-tetramethylquinolin-1-yl)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-oxo-2-(2,2,4,6-tetramethylquinolin-1-yl)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
PubChem CID124985214
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name(3S)-1-[2-oxo-2-(2,2,4,6-tetramethylquinolin-1-yl)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
SMILESCC1=CC(C)(C)N(C(=O)CN2CCC[C@@](C(N)=O)(c3ccccn3)C2)c2ccc(C)cc21
InChIInChI=1S/C26H32N4O2/c1-18-9-10-21-20(14-18)19(2)15-25(3,4)30(21)23(31)16-29-13-7-11-26(17-29,24(27)32)22-8-5-6-12-28-22/h5-6,8-10,12,14-15H,7,11,13,16-17H2,1-4H3,(H2,27,32)/t26-/m0/s1
InChIKeyNQEAYWXMHLEJOX-SANMLTNESA-N
XLogP3.44
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-oxo-2-(2,2,4,6-tetramethylquinolin-1-yl)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-oxo-2-(2,2,4,6-tetramethylquinolin-1-yl)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide (CID 124985214) is (3S)-1-[2-oxo-2-(2,2,4,6-tetramethylquinolin-1-yl)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-oxo-2-(2,2,4,6-tetramethylquinolin-1-yl)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-oxo-2-(2,2,4,6-tetramethylquinolin-1-yl)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide is CC1=CC(C)(C)N(C(=O)CN2CCC[C@@](C(N)=O)(c3ccccn3)C2)c2ccc(C)cc21.
What is the InChIKey of (3S)-1-[2-oxo-2-(2,2,4,6-tetramethylquinolin-1-yl)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
The InChIKey is NQEAYWXMHLEJOX-SANMLTNESA-N. The full InChI is InChI=1S/C26H32N4O2/c1-18-9-10-21-20(14-18)19(2)15-25(3,4)30(21)23(31)16-29-13-7-11-26(17-29,24(27)32)22-8-5-6-12-28-22/h5-6,8-10,12,14-15H,7,11,13,16-17H2,1-4H3,(H2,27,32)/t26-/m0/s1.
What are the key properties of (3S)-1-[2-oxo-2-(2,2,4,6-tetramethylquinolin-1-yl)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
(3S)-1-[2-oxo-2-(2,2,4,6-tetramethylquinolin-1-yl)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide has a molecular weight of 432.57 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-oxo-2-(2,2,4,6-tetramethylquinolin-1-yl)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 124985214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).