N-(3,5-difluorophenyl)-4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]piperidine-1-carboxamide

C23H27F2N3O4 — CID 91903691

IUPACN-(3,5-difluorophenyl)-4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]piperidine-1-carboxamide
SMILESCOc1ccc(C(=O)NCCC2CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)cc1OC
InChIInChI=1S/C23H27F2N3O4/c1-31-20-4-3-16(11-21(20)32-2)22(29)26-8-5-15-6-9-28(10-7-15)23(30)27-19-13-17(24)12-18(25)14-19/h3-4,11-15H,5-10H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyYMFWMVGAENNUHU-UHFFFAOYSA-N
MW447.48 g/mol
LogP4.05
Rot. Bonds7

About N-(3,5-difluorophenyl)-4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]piperidine-1-carboxamide

N-(3,5-difluorophenyl)-4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]piperidine-1-carboxamide (PubChem CID 91903691) has the molecular formula C23H27F2N3O4 and a molecular weight of 447.48 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]piperidine-1-carboxamide
PubChem CID91903691
Molecular FormulaC23H27F2N3O4
Molecular Weight447.48 g/mol
Exact Mass447.20
IUPAC NameN-(3,5-difluorophenyl)-4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]piperidine-1-carboxamide
SMILESCOc1ccc(C(=O)NCCC2CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)cc1OC
InChIInChI=1S/C23H27F2N3O4/c1-31-20-4-3-16(11-21(20)32-2)22(29)26-8-5-15-6-9-28(10-7-15)23(30)27-19-13-17(24)12-18(25)14-19/h3-4,11-15H,5-10H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyYMFWMVGAENNUHU-UHFFFAOYSA-N
XLogP4.05
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.48
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3,5-difluorophenyl)-4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]piperidine-1-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

4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide
CID 91913328
N-(3,5-difluorophenyl)-4-[2-[(2-methoxyacetyl)amino]ethyl]piperidine-1-carboxamide
CID 91913317
4-[2-[(3-fluorobenzoyl)amino]ethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 91903544
N-(3,5-difluorophenyl)-4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]piperidine-1-carboxamide
CID 91903674
N-(3,5-difluorophenyl)-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide
CID 91903683
N-(3,5-difluorophenyl)-3,4-dimethoxybenzamide
CID 7336959
4-[2-[(2-methoxybenzoyl)amino]ethyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 91913285
N-(3-cyclopentylpropyl)-3,4-dimethoxybenzamide
CID 38335556
3,4-dimethoxy-N-[2-oxo-2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]benzamide
CID 37033418
N-(3,4-dimethoxyphenyl)-4-[3-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]propyl]piperidine-1-carboxamide
CID 58756740
3,4-dimethoxy-N-[[1-(3-methylbut-2-enoyl)piperidin-4-yl]methyl]benzamide
CID 108935524
N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
CID 108935484

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]piperidine-1-carboxamide?
The IUPAC name of N-(3,5-difluorophenyl)-4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]piperidine-1-carboxamide (CID 91903691) is N-(3,5-difluorophenyl)-4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-(3,5-difluorophenyl)-4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]piperidine-1-carboxamide is COc1ccc(C(=O)NCCC2CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)cc1OC.
What is the InChIKey of N-(3,5-difluorophenyl)-4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]piperidine-1-carboxamide?
The InChIKey is YMFWMVGAENNUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N3O4/c1-31-20-4-3-16(11-21(20)32-2)22(29)26-8-5-15-6-9-28(10-7-15)23(30)27-19-13-17(24)12-18(25)14-19/h3-4,11-15H,5-10H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of N-(3,5-difluorophenyl)-4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]piperidine-1-carboxamide?
N-(3,5-difluorophenyl)-4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]piperidine-1-carboxamide has a molecular weight of 447.48 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 91903691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).