N-[[4-(diethylamino)-3-fluorophenyl]methyl]-1-methyl-6-oxopiperidine-2-carboxamide

C18H26FN3O2 — CID 146138350

IUPACN-[[4-(diethylamino)-3-fluorophenyl]methyl]-1-methyl-6-oxopiperidine-2-carboxamide
SMILESCCN(CC)c1ccc(CNC(=O)C2CCCC(=O)N2C)cc1F
InChIInChI=1S/C18H26FN3O2/c1-4-22(5-2)15-10-9-13(11-14(15)19)12-20-18(24)16-7-6-8-17(23)21(16)3/h9-11,16H,4-8,12H2,1-3H3,(H,20,24)
InChIKeyMHXUYQVPMHZPGL-UHFFFAOYSA-N
MW335.42 g/mol
LogP2.30
Rot. Bonds6

About N-[[4-(diethylamino)-3-fluorophenyl]methyl]-1-methyl-6-oxopiperidine-2-carboxamide

N-[[4-(diethylamino)-3-fluorophenyl]methyl]-1-methyl-6-oxopiperidine-2-carboxamide (PubChem CID 146138350) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is N-[[4-(diethylamino)-3-fluorophenyl]methyl]-1-methyl-6-oxopiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)-3-fluorophenyl]methyl]-1-methyl-6-oxopiperidine-2-carboxamide
PubChem CID146138350
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC NameN-[[4-(diethylamino)-3-fluorophenyl]methyl]-1-methyl-6-oxopiperidine-2-carboxamide
SMILESCCN(CC)c1ccc(CNC(=O)C2CCCC(=O)N2C)cc1F
InChIInChI=1S/C18H26FN3O2/c1-4-22(5-2)15-10-9-13(11-14(15)19)12-20-18(24)16-7-6-8-17(23)21(16)3/h9-11,16H,4-8,12H2,1-3H3,(H,20,24)
InChIKeyMHXUYQVPMHZPGL-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(diethylamino)-3-fluorophenyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428297
N-[(4-chloro-2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-2-carboxamide
CID 146133050
N-[[4-(furan-2-yl)phenyl]methyl]-1-methyl-6-oxopiperidine-2-carboxamide
CID 146142207
1-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110687248
N-[(3,4-difluorophenyl)methyl]-1-methylazepane-2-carboxamide
CID 72877122
1-methyl-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 110687261
methyl 2-[[(2S)-1-methyl-6-oxopiperidine-2-carbonyl]amino]acetate
CID 101272344
1-[[4-(diethylamino)-3-fluorophenyl]methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111833086
N-[(3,4-difluorophenyl)methyl]cyclopentanecarboxamide
CID 110781018
N-[[4-(diethylamino)-3-fluorophenyl]methyl]-2-(methanesulfonamido)propanamide
CID 56803786
N-[(4-chlorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 42642595
(2S)-2-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 74250640

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)-3-fluorophenyl]methyl]-1-methyl-6-oxopiperidine-2-carboxamide?
The IUPAC name of N-[[4-(diethylamino)-3-fluorophenyl]methyl]-1-methyl-6-oxopiperidine-2-carboxamide (CID 146138350) is N-[[4-(diethylamino)-3-fluorophenyl]methyl]-1-methyl-6-oxopiperidine-2-carboxamide.
What is the SMILES notation for N-[[4-(diethylamino)-3-fluorophenyl]methyl]-1-methyl-6-oxopiperidine-2-carboxamide?
The canonical SMILES for N-[[4-(diethylamino)-3-fluorophenyl]methyl]-1-methyl-6-oxopiperidine-2-carboxamide is CCN(CC)c1ccc(CNC(=O)C2CCCC(=O)N2C)cc1F.
What is the InChIKey of N-[[4-(diethylamino)-3-fluorophenyl]methyl]-1-methyl-6-oxopiperidine-2-carboxamide?
The InChIKey is MHXUYQVPMHZPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-4-22(5-2)15-10-9-13(11-14(15)19)12-20-18(24)16-7-6-8-17(23)21(16)3/h9-11,16H,4-8,12H2,1-3H3,(H,20,24).
What are the key properties of N-[[4-(diethylamino)-3-fluorophenyl]methyl]-1-methyl-6-oxopiperidine-2-carboxamide?
N-[[4-(diethylamino)-3-fluorophenyl]methyl]-1-methyl-6-oxopiperidine-2-carboxamide has a molecular weight of 335.42 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)-3-fluorophenyl]methyl]-1-methyl-6-oxopiperidine-2-carboxamide is sourced from PubChem (CID 146138350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).