N-(3,3-dimethyl-2-oxobutyl)-4-quinolin-6-yloxypiperidine-4-carboxamide

C21H27N3O3 — CID 50969358

IUPACN-(3,3-dimethyl-2-oxobutyl)-4-quinolin-6-yloxypiperidine-4-carboxamide
SMILESCC(C)(C)C(=O)CNC(=O)C1(Oc2ccc3ncccc3c2)CCNCC1
InChIInChI=1S/C21H27N3O3/c1-20(2,3)18(25)14-24-19(26)21(8-11-22-12-9-21)27-16-6-7-17-15(13-16)5-4-10-23-17/h4-7,10,13,22H,8-9,11-12,14H2,1-3H3,(H,24,26)
InChIKeyYNQPFPQVHWZERM-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.47
Rot. Bonds5

About N-(3,3-dimethyl-2-oxobutyl)-4-quinolin-6-yloxypiperidine-4-carboxamide

N-(3,3-dimethyl-2-oxobutyl)-4-quinolin-6-yloxypiperidine-4-carboxamide (PubChem CID 50969358) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-(3,3-dimethyl-2-oxobutyl)-4-quinolin-6-yloxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-2-oxobutyl)-4-quinolin-6-yloxypiperidine-4-carboxamide
PubChem CID50969358
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-(3,3-dimethyl-2-oxobutyl)-4-quinolin-6-yloxypiperidine-4-carboxamide
SMILESCC(C)(C)C(=O)CNC(=O)C1(Oc2ccc3ncccc3c2)CCNCC1
InChIInChI=1S/C21H27N3O3/c1-20(2,3)18(25)14-24-19(26)21(8-11-22-12-9-21)27-16-6-7-17-15(13-16)5-4-10-23-17/h4-7,10,13,22H,8-9,11-12,14H2,1-3H3,(H,24,26)
InChIKeyYNQPFPQVHWZERM-UHFFFAOYSA-N
XLogP2.47
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-2-oxobutyl)-4-quinolin-6-yloxypiperidine-4-carboxamide?
The IUPAC name of N-(3,3-dimethyl-2-oxobutyl)-4-quinolin-6-yloxypiperidine-4-carboxamide (CID 50969358) is N-(3,3-dimethyl-2-oxobutyl)-4-quinolin-6-yloxypiperidine-4-carboxamide.
What is the SMILES notation for N-(3,3-dimethyl-2-oxobutyl)-4-quinolin-6-yloxypiperidine-4-carboxamide?
The canonical SMILES for N-(3,3-dimethyl-2-oxobutyl)-4-quinolin-6-yloxypiperidine-4-carboxamide is CC(C)(C)C(=O)CNC(=O)C1(Oc2ccc3ncccc3c2)CCNCC1.
What is the InChIKey of N-(3,3-dimethyl-2-oxobutyl)-4-quinolin-6-yloxypiperidine-4-carboxamide?
The InChIKey is YNQPFPQVHWZERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-20(2,3)18(25)14-24-19(26)21(8-11-22-12-9-21)27-16-6-7-17-15(13-16)5-4-10-23-17/h4-7,10,13,22H,8-9,11-12,14H2,1-3H3,(H,24,26).
What are the key properties of N-(3,3-dimethyl-2-oxobutyl)-4-quinolin-6-yloxypiperidine-4-carboxamide?
N-(3,3-dimethyl-2-oxobutyl)-4-quinolin-6-yloxypiperidine-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-2-oxobutyl)-4-quinolin-6-yloxypiperidine-4-carboxamide is sourced from PubChem (CID 50969358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).