1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-N-methyl-2-oxoquinoline-4-carboxamide

C26H31FN4O2 — CID 59398436

IUPAC1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-N-methyl-2-oxoquinoline-4-carboxamide
SMILESCNC(=O)c1cc(=O)n(CCN2CCC(NCc3ccc(C)c(F)c3)CC2)c2ccccc12
InChIInChI=1S/C26H31FN4O2/c1-18-7-8-19(15-23(18)27)17-29-20-9-11-30(12-10-20)13-14-31-24-6-4-3-5-21(24)22(16-25(31)32)26(33)28-2/h3-8,15-16,20,29H,9-14,17H2,1-2H3,(H,28,33)
InChIKeyJMLDWFAPMAFKSD-UHFFFAOYSA-N
MW450.56 g/mol
LogP3.06
Rot. Bonds7

About 1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-N-methyl-2-oxoquinoline-4-carboxamide

1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-N-methyl-2-oxoquinoline-4-carboxamide (PubChem CID 59398436) has the molecular formula C26H31FN4O2 and a molecular weight of 450.56 g/mol. Its IUPAC name is 1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-N-methyl-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-N-methyl-2-oxoquinoline-4-carboxamide
PubChem CID59398436
Molecular FormulaC26H31FN4O2
Molecular Weight450.56 g/mol
Exact Mass450.24
IUPAC Name1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-N-methyl-2-oxoquinoline-4-carboxamide
SMILESCNC(=O)c1cc(=O)n(CCN2CCC(NCc3ccc(C)c(F)c3)CC2)c2ccccc12
InChIInChI=1S/C26H31FN4O2/c1-18-7-8-19(15-23(18)27)17-29-20-9-11-30(12-10-20)13-14-31-24-6-4-3-5-21(24)22(16-25(31)32)26(33)28-2/h3-8,15-16,20,29H,9-14,17H2,1-2H3,(H,28,33)
InChIKeyJMLDWFAPMAFKSD-UHFFFAOYSA-N
XLogP3.06
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-N-methyl-2-oxoquinoline-4-carboxamide with MolForge

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Related Compounds

N-methyl-2-oxo-1-[2-[4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylamino]piperidin-1-yl]ethyl]quinoline-4-carboxamide;hydrochloride
CID 67539033
1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-4-methylquinolin-2-one
CID 59397839
1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-4-carboxamide;hydrochloride
CID 67537611
1-[2-[4-[(4-tert-butylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-4-carboxamide
CID 59397946
1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one
CID 162093897
7-methoxy-N-methyl-2-oxo-1-[2-[4-[(4-pyrrolidin-1-ylphenyl)methylamino]piperidin-1-yl]ethyl]quinoline-4-carboxamide
CID 67537347
1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-5-carboxamide;hydrochloride
CID 67539031
4-amino-1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]quinolin-2-one
CID 59398359
2-fluoro-4-[[(1-propylpiperidin-4-yl)amino]methyl]benzoic acid
CID 106699931
7-(methoxymethyl)-2-oxo-1-[2-[4-[[3-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]ethyl]quinoline-4-carboxamide
CID 90766370
1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 42542998
7-(methoxymethyl)-2-oxo-1-[2-[4-(phenanthren-9-ylmethylamino)piperidin-1-yl]ethyl]quinoline-4-carboxamide
CID 90688755

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-N-methyl-2-oxoquinoline-4-carboxamide?
The IUPAC name of 1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-N-methyl-2-oxoquinoline-4-carboxamide (CID 59398436) is 1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-N-methyl-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for 1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-N-methyl-2-oxoquinoline-4-carboxamide?
The canonical SMILES for 1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-N-methyl-2-oxoquinoline-4-carboxamide is CNC(=O)c1cc(=O)n(CCN2CCC(NCc3ccc(C)c(F)c3)CC2)c2ccccc12.
What is the InChIKey of 1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-N-methyl-2-oxoquinoline-4-carboxamide?
The InChIKey is JMLDWFAPMAFKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O2/c1-18-7-8-19(15-23(18)27)17-29-20-9-11-30(12-10-20)13-14-31-24-6-4-3-5-21(24)22(16-25(31)32)26(33)28-2/h3-8,15-16,20,29H,9-14,17H2,1-2H3,(H,28,33).
What are the key properties of 1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-N-methyl-2-oxoquinoline-4-carboxamide?
1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-N-methyl-2-oxoquinoline-4-carboxamide has a molecular weight of 450.56 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-N-methyl-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 59398436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).