1-methyl-N-[1-[5-(1-methyl-2-oxoquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]piperidine-4-carboxamide

C29H38N4O4 — CID 118275137

IUPAC1-methyl-N-[1-[5-(1-methyl-2-oxoquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]piperidine-4-carboxamide
SMILESCCC(=O)CCCCCC(NC(=O)C1CCN(C)CC1)c1ncc(-c2cc3ccccc3n(C)c2=O)o1
InChIInChI=1S/C29H38N4O4/c1-4-22(34)11-6-5-7-12-24(31-27(35)20-14-16-32(2)17-15-20)28-30-19-26(37-28)23-18-21-10-8-9-13-25(21)33(3)29(23)36/h8-10,13,18-20,24H,4-7,11-12,14-17H2,1-3H3,(H,31,35)
InChIKeyJPGOKFXPSVTSND-UHFFFAOYSA-N
MW506.65 g/mol
LogP4.62
Rot. Bonds11

About 1-methyl-N-[1-[5-(1-methyl-2-oxoquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]piperidine-4-carboxamide

1-methyl-N-[1-[5-(1-methyl-2-oxoquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]piperidine-4-carboxamide (PubChem CID 118275137) has the molecular formula C29H38N4O4 and a molecular weight of 506.65 g/mol. Its IUPAC name is 1-methyl-N-[1-[5-(1-methyl-2-oxoquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-[5-(1-methyl-2-oxoquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]piperidine-4-carboxamide
PubChem CID118275137
Molecular FormulaC29H38N4O4
Molecular Weight506.65 g/mol
Exact Mass506.29
IUPAC Name1-methyl-N-[1-[5-(1-methyl-2-oxoquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]piperidine-4-carboxamide
SMILESCCC(=O)CCCCCC(NC(=O)C1CCN(C)CC1)c1ncc(-c2cc3ccccc3n(C)c2=O)o1
InChIInChI=1S/C29H38N4O4/c1-4-22(34)11-6-5-7-12-24(31-27(35)20-14-16-32(2)17-15-20)28-30-19-26(37-28)23-18-21-10-8-9-13-25(21)33(3)29(23)36/h8-10,13,18-20,24H,4-7,11-12,14-17H2,1-3H3,(H,31,35)
InChIKeyJPGOKFXPSVTSND-UHFFFAOYSA-N
XLogP4.62
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.65
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-[5-(1-methyl-2-oxoquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]piperidine-4-carboxamide?
The IUPAC name of 1-methyl-N-[1-[5-(1-methyl-2-oxoquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]piperidine-4-carboxamide (CID 118275137) is 1-methyl-N-[1-[5-(1-methyl-2-oxoquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-[5-(1-methyl-2-oxoquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-N-[1-[5-(1-methyl-2-oxoquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]piperidine-4-carboxamide is CCC(=O)CCCCCC(NC(=O)C1CCN(C)CC1)c1ncc(-c2cc3ccccc3n(C)c2=O)o1.
What is the InChIKey of 1-methyl-N-[1-[5-(1-methyl-2-oxoquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]piperidine-4-carboxamide?
The InChIKey is JPGOKFXPSVTSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O4/c1-4-22(34)11-6-5-7-12-24(31-27(35)20-14-16-32(2)17-15-20)28-30-19-26(37-28)23-18-21-10-8-9-13-25(21)33(3)29(23)36/h8-10,13,18-20,24H,4-7,11-12,14-17H2,1-3H3,(H,31,35).
What are the key properties of 1-methyl-N-[1-[5-(1-methyl-2-oxoquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]piperidine-4-carboxamide?
1-methyl-N-[1-[5-(1-methyl-2-oxoquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]piperidine-4-carboxamide has a molecular weight of 506.65 g/mol, XLogP of 4.62, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-[5-(1-methyl-2-oxoquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]piperidine-4-carboxamide is sourced from PubChem (CID 118275137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).