N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

C20H26F2N4O3 — CID 55719602

IUPACN-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
SMILESCNC(=O)C(NC(=O)C1CCN(C(=O)N2CCCC2)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C20H26F2N4O3/c1-23-19(28)17(14-4-5-15(21)16(22)12-14)24-18(27)13-6-10-26(11-7-13)20(29)25-8-2-3-9-25/h4-5,12-13,17H,2-3,6-11H2,1H3,(H,23,28)(H,24,27)
InChIKeyFKGTUIYTQMXESY-UHFFFAOYSA-N
MW408.45 g/mol
LogP1.80
Rot. Bonds4

About N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (PubChem CID 55719602) has the molecular formula C20H26F2N4O3 and a molecular weight of 408.45 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
PubChem CID55719602
Molecular FormulaC20H26F2N4O3
Molecular Weight408.45 g/mol
Exact Mass408.20
IUPAC NameN-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
SMILESCNC(=O)C(NC(=O)C1CCN(C(=O)N2CCCC2)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C20H26F2N4O3/c1-23-19(28)17(14-4-5-15(21)16(22)12-14)24-18(27)13-6-10-26(11-7-13)20(29)25-8-2-3-9-25/h4-5,12-13,17H,2-3,6-11H2,1H3,(H,23,28)(H,24,27)
InChIKeyFKGTUIYTQMXESY-UHFFFAOYSA-N
XLogP1.80
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 55502070
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 55509813
(2S)-2-phenyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid
CID 119372610
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55585437
1-N-[1-(3,4-difluorophenyl)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide
CID 51275131
N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]benzamide
CID 95402613
2-chloro-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55501724
4-chloro-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-2-fluorobenzamide
CID 78834572
N-(3,4-difluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31786532
N-[1-(3,4-difluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 18103430
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide
CID 55502073
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide
CID 55554901

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (CID 55719602) is N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is CNC(=O)C(NC(=O)C1CCN(C(=O)N2CCCC2)CC1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is FKGTUIYTQMXESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N4O3/c1-23-19(28)17(14-4-5-15(21)16(22)12-14)24-18(27)13-6-10-26(11-7-13)20(29)25-8-2-3-9-25/h4-5,12-13,17H,2-3,6-11H2,1H3,(H,23,28)(H,24,27).
What are the key properties of N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 408.45 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55719602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).