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

C24H30FN3O4 — CID 91913328

IUPAC4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(C(=O)NCCC2CCN(C(=O)Nc3ccc(C)c(F)c3)CC2)cc1OC
InChIInChI=1S/C24H30FN3O4/c1-16-4-6-19(15-20(16)25)27-24(30)28-12-9-17(10-13-28)8-11-26-23(29)18-5-7-21(31-2)22(14-18)32-3/h4-7,14-15,17H,8-13H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyOXOUYSKCJNEPHG-UHFFFAOYSA-N
MW443.52 g/mol
LogP4.22
Rot. Bonds7

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

4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide (PubChem CID 91913328) has the molecular formula C24H30FN3O4 and a molecular weight of 443.52 g/mol. Its IUPAC name is 4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide
PubChem CID91913328
Molecular FormulaC24H30FN3O4
Molecular Weight443.52 g/mol
Exact Mass443.22
IUPAC Name4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(C(=O)NCCC2CCN(C(=O)Nc3ccc(C)c(F)c3)CC2)cc1OC
InChIInChI=1S/C24H30FN3O4/c1-16-4-6-19(15-20(16)25)27-24(30)28-12-9-17(10-13-28)8-11-26-23(29)18-5-7-21(31-2)22(14-18)32-3/h4-7,14-15,17H,8-13H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyOXOUYSKCJNEPHG-UHFFFAOYSA-N
XLogP4.22
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-difluorophenyl)-4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]piperidine-1-carboxamide
CID 91903691
4-[2-[(2-cyclopentylacetyl)amino]ethyl]-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide
CID 91913330
4-(2-aminoethyl)-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide;dihydrochloride
CID 155823381
N-(3-fluoro-4-methylphenyl)-4-[2-[3-(3-methoxyphenyl)propanoylamino]ethyl]piperidine-1-carboxamide
CID 91903719
4-[2-[(3-fluorobenzoyl)amino]ethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 91903544
N-(3-fluoro-4-methylphenyl)-4-[2-[(1-phenylcyclopropanecarbonyl)amino]ethyl]piperidine-1-carboxamide
CID 91903717
4-[2-[(2-methoxybenzoyl)amino]ethyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 91913285
N-(3,4-dimethoxyphenyl)-4-[3-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]propyl]piperidine-1-carboxamide
CID 58756740
N-[2-[(4-ethoxy-3-methoxybenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide
CID 33328596
N-(3-cyclopentylpropyl)-3,4-dimethoxybenzamide
CID 38335556
4-butoxy-N-(3-fluoro-4-methylphenyl)-3-methoxybenzamide
CID 9216174
4-[(5-chloro-2-methoxyphenyl)methyl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide
CID 17148904

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide (CID 91913328) is 4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide is COc1ccc(C(=O)NCCC2CCN(C(=O)Nc3ccc(C)c(F)c3)CC2)cc1OC.
What is the InChIKey of 4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide?
The InChIKey is OXOUYSKCJNEPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O4/c1-16-4-6-19(15-20(16)25)27-24(30)28-12-9-17(10-13-28)8-11-26-23(29)18-5-7-21(31-2)22(14-18)32-3/h4-7,14-15,17H,8-13H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of 4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide?
4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide has a molecular weight of 443.52 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 91913328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).