N-[3-(dimethylamino)propyl]-2-(2-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide

C18H26FN3O2 — CID 56730452

IUPACN-[3-(dimethylamino)propyl]-2-(2-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide
SMILESCN(C)CCCNC(=O)C1CCC(=O)N(C)C1c1ccccc1F
InChIInChI=1S/C18H26FN3O2/c1-21(2)12-6-11-20-18(24)14-9-10-16(23)22(3)17(14)13-7-4-5-8-15(13)19/h4-5,7-8,14,17H,6,9-12H2,1-3H3,(H,20,24)
InChIKeyLOYNMEURONHTEA-UHFFFAOYSA-N
MW335.42 g/mol
LogP1.80
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-2-(2-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide

N-[3-(dimethylamino)propyl]-2-(2-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 56730452) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(2-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(2-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide
PubChem CID56730452
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC NameN-[3-(dimethylamino)propyl]-2-(2-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide
SMILESCN(C)CCCNC(=O)C1CCC(=O)N(C)C1c1ccccc1F
InChIInChI=1S/C18H26FN3O2/c1-21(2)12-6-11-20-18(24)14-9-10-16(23)22(3)17(14)13-7-4-5-8-15(13)19/h4-5,7-8,14,17H,6,9-12H2,1-3H3,(H,20,24)
InChIKeyLOYNMEURONHTEA-UHFFFAOYSA-N
XLogP1.80
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)-2-oxoethyl]-2-(2-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 56730429
(2R,3R)-N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 95740265
N-(2-aminoethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide;hydrochloride
CID 119383801
N-[3-(dimethylamino)propyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687240
6-(2-fluorophenyl)-1-methyl-5-(pyrrolidine-1-carbonyl)piperidin-2-one
CID 56730472
2-(4-methoxyphenyl)-1-methyl-N-[3-(N-methylanilino)propyl]-6-oxopiperidine-3-carboxamide
CID 171143895
(2R,3R)-1-ethyl-2-(2-fluorophenyl)-N-(2-methylpropyl)-6-oxopiperidine-3-carboxamide
CID 110087065
2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-3-carboxamide
CID 75538264
(2R,3S)-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-3-carboxamide
CID 97457673
(2S,3S)-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-3-carboxamide
CID 97457672
2-N-[3-(dimethylamino)propyl]-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133984
(2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-propylpiperidine-3-carboxamide
CID 97457717

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(2-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(2-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide (CID 56730452) is N-[3-(dimethylamino)propyl]-2-(2-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(2-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(2-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide is CN(C)CCCNC(=O)C1CCC(=O)N(C)C1c1ccccc1F.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(2-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is LOYNMEURONHTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-21(2)12-6-11-20-18(24)14-9-10-16(23)22(3)17(14)13-7-4-5-8-15(13)19/h4-5,7-8,14,17H,6,9-12H2,1-3H3,(H,20,24).
What are the key properties of N-[3-(dimethylamino)propyl]-2-(2-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide?
N-[3-(dimethylamino)propyl]-2-(2-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 335.42 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(2-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 56730452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).