1-(1-methyl-2-oxo-3,4-dihydroquinoline-4-carbonyl)piperidine-4-carboxamide

C17H21N3O3 — CID 110703004

IUPAC1-(1-methyl-2-oxo-3,4-dihydroquinoline-4-carbonyl)piperidine-4-carboxamide
SMILESCN1C(=O)CC(C(=O)N2CCC(C(N)=O)CC2)c2ccccc21
InChIInChI=1S/C17H21N3O3/c1-19-14-5-3-2-4-12(14)13(10-15(19)21)17(23)20-8-6-11(7-9-20)16(18)22/h2-5,11,13H,6-10H2,1H3,(H2,18,22)
InChIKeyUMENSDAYPSZVRL-UHFFFAOYSA-N
MW315.37 g/mol
LogP0.86
Rot. Bonds2

About 1-(1-methyl-2-oxo-3,4-dihydroquinoline-4-carbonyl)piperidine-4-carboxamide

1-(1-methyl-2-oxo-3,4-dihydroquinoline-4-carbonyl)piperidine-4-carboxamide (PubChem CID 110703004) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-(1-methyl-2-oxo-3,4-dihydroquinoline-4-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-methyl-2-oxo-3,4-dihydroquinoline-4-carbonyl)piperidine-4-carboxamide
PubChem CID110703004
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-(1-methyl-2-oxo-3,4-dihydroquinoline-4-carbonyl)piperidine-4-carboxamide
SMILESCN1C(=O)CC(C(=O)N2CCC(C(N)=O)CC2)c2ccccc21
InChIInChI=1S/C17H21N3O3/c1-19-14-5-3-2-4-12(14)13(10-15(19)21)17(23)20-8-6-11(7-9-20)16(18)22/h2-5,11,13H,6-10H2,1H3,(H2,18,22)
InChIKeyUMENSDAYPSZVRL-UHFFFAOYSA-N
XLogP0.86
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2-oxo-3,4-dihydroquinoline-4-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-methyl-2-oxo-3,4-dihydroquinoline-4-carbonyl)piperidine-4-carboxamide (CID 110703004) is 1-(1-methyl-2-oxo-3,4-dihydroquinoline-4-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-methyl-2-oxo-3,4-dihydroquinoline-4-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-methyl-2-oxo-3,4-dihydroquinoline-4-carbonyl)piperidine-4-carboxamide is CN1C(=O)CC(C(=O)N2CCC(C(N)=O)CC2)c2ccccc21.
What is the InChIKey of 1-(1-methyl-2-oxo-3,4-dihydroquinoline-4-carbonyl)piperidine-4-carboxamide?
The InChIKey is UMENSDAYPSZVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-19-14-5-3-2-4-12(14)13(10-15(19)21)17(23)20-8-6-11(7-9-20)16(18)22/h2-5,11,13H,6-10H2,1H3,(H2,18,22).
What are the key properties of 1-(1-methyl-2-oxo-3,4-dihydroquinoline-4-carbonyl)piperidine-4-carboxamide?
1-(1-methyl-2-oxo-3,4-dihydroquinoline-4-carbonyl)piperidine-4-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2-oxo-3,4-dihydroquinoline-4-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 110703004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).