(3R)-1-[2-oxo-2-(2,2,4-trimethylquinolin-1-yl)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide

C25H30N4O2 — CID 125001818

IUPAC(3R)-1-[2-oxo-2-(2,2,4-trimethylquinolin-1-yl)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
SMILESCC1=CC(C)(C)N(C(=O)CN2CCC[C@](C(N)=O)(c3ccccn3)C2)c2ccccc21
InChIInChI=1S/C25H30N4O2/c1-18-15-24(2,3)29(20-10-5-4-9-19(18)20)22(30)16-28-14-8-12-25(17-28,23(26)31)21-11-6-7-13-27-21/h4-7,9-11,13,15H,8,12,14,16-17H2,1-3H3,(H2,26,31)/t25-/m1/s1
InChIKeySGAGPXJHAIVEIP-RUZDIDTESA-N
MW418.54 g/mol
LogP3.13
Rot. Bonds4

About (3R)-1-[2-oxo-2-(2,2,4-trimethylquinolin-1-yl)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide

(3R)-1-[2-oxo-2-(2,2,4-trimethylquinolin-1-yl)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide (PubChem CID 125001818) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is (3R)-1-[2-oxo-2-(2,2,4-trimethylquinolin-1-yl)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-oxo-2-(2,2,4-trimethylquinolin-1-yl)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
PubChem CID125001818
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name(3R)-1-[2-oxo-2-(2,2,4-trimethylquinolin-1-yl)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
SMILESCC1=CC(C)(C)N(C(=O)CN2CCC[C@](C(N)=O)(c3ccccn3)C2)c2ccccc21
InChIInChI=1S/C25H30N4O2/c1-18-15-24(2,3)29(20-10-5-4-9-19(18)20)22(30)16-28-14-8-12-25(17-28,23(26)31)21-11-6-7-13-27-21/h4-7,9-11,13,15H,8,12,14,16-17H2,1-3H3,(H2,26,31)/t25-/m1/s1
InChIKeySGAGPXJHAIVEIP-RUZDIDTESA-N
XLogP3.13
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-oxo-2-(2,2,4-trimethylquinolin-1-yl)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-oxo-2-(2,2,4-trimethylquinolin-1-yl)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide (CID 125001818) is (3R)-1-[2-oxo-2-(2,2,4-trimethylquinolin-1-yl)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-oxo-2-(2,2,4-trimethylquinolin-1-yl)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-oxo-2-(2,2,4-trimethylquinolin-1-yl)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide is CC1=CC(C)(C)N(C(=O)CN2CCC[C@](C(N)=O)(c3ccccn3)C2)c2ccccc21.
What is the InChIKey of (3R)-1-[2-oxo-2-(2,2,4-trimethylquinolin-1-yl)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
The InChIKey is SGAGPXJHAIVEIP-RUZDIDTESA-N. The full InChI is InChI=1S/C25H30N4O2/c1-18-15-24(2,3)29(20-10-5-4-9-19(18)20)22(30)16-28-14-8-12-25(17-28,23(26)31)21-11-6-7-13-27-21/h4-7,9-11,13,15H,8,12,14,16-17H2,1-3H3,(H2,26,31)/t25-/m1/s1.
What are the key properties of (3R)-1-[2-oxo-2-(2,2,4-trimethylquinolin-1-yl)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
(3R)-1-[2-oxo-2-(2,2,4-trimethylquinolin-1-yl)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-oxo-2-(2,2,4-trimethylquinolin-1-yl)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 125001818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).