N-fluoro-3-methyl-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide

C23H26FN3O2 — CID 87283781

IUPACN-fluoro-3-methyl-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
SMILESCc1cccc(C(=O)N(F)C2CCN(Cc3ccc4c(c3)NC(=O)CC4)CC2)c1
InChIInChI=1S/C23H26FN3O2/c1-16-3-2-4-19(13-16)23(29)27(24)20-9-11-26(12-10-20)15-17-5-6-18-7-8-22(28)25-21(18)14-17/h2-6,13-14,20H,7-12,15H2,1H3,(H,25,28)
InChIKeyHUKLFZQKBAZTLG-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.87
Rot. Bonds4

About N-fluoro-3-methyl-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide

N-fluoro-3-methyl-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide (PubChem CID 87283781) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is N-fluoro-3-methyl-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-fluoro-3-methyl-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
PubChem CID87283781
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC NameN-fluoro-3-methyl-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
SMILESCc1cccc(C(=O)N(F)C2CCN(Cc3ccc4c(c3)NC(=O)CC4)CC2)c1
InChIInChI=1S/C23H26FN3O2/c1-16-3-2-4-19(13-16)23(29)27(24)20-9-11-26(12-10-20)15-17-5-6-18-7-8-22(28)25-21(18)14-17/h2-6,13-14,20H,7-12,15H2,1H3,(H,25,28)
InChIKeyHUKLFZQKBAZTLG-UHFFFAOYSA-N
XLogP3.87
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 142763739
3-chloro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
CID 45255793
2-fluoro-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
CID 141265536
3,5-dimethoxy-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
CID 45256172
3-methyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide
CID 110781541
N-(3-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 42858255
N-[1-[(4-acetyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide
CID 141265537
7-[3-[4-(2,4-dimethylphenyl)piperidin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 13120852
N-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]-3-methylbenzamide
CID 145450109
N-(3,4-dimethoxyphenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbenzamide
CID 46054860
2-[methyl-[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 82548262
7-[(1-benzylpyrrolidin-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 84591356

Frequently Asked Questions

What is the IUPAC name of N-fluoro-3-methyl-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide?
The IUPAC name of N-fluoro-3-methyl-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide (CID 87283781) is N-fluoro-3-methyl-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-fluoro-3-methyl-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-fluoro-3-methyl-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide is Cc1cccc(C(=O)N(F)C2CCN(Cc3ccc4c(c3)NC(=O)CC4)CC2)c1.
What is the InChIKey of N-fluoro-3-methyl-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide?
The InChIKey is HUKLFZQKBAZTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-16-3-2-4-19(13-16)23(29)27(24)20-9-11-26(12-10-20)15-17-5-6-18-7-8-22(28)25-21(18)14-17/h2-6,13-14,20H,7-12,15H2,1H3,(H,25,28).
What are the key properties of N-fluoro-3-methyl-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide?
N-fluoro-3-methyl-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide has a molecular weight of 395.48 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-3-methyl-N-[1-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 87283781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).