3-[(3R)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide

C24H29FN2O4 — CID 25302828

IUPAC3-[(3R)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
SMILESCOc1cccc(C(=O)N2CCC[C@H](CCC(=O)Nc3ccc(F)cc3C)C2)c1OC
InChIInChI=1S/C24H29FN2O4/c1-16-14-18(25)10-11-20(16)26-22(28)12-9-17-6-5-13-27(15-17)24(29)19-7-4-8-21(30-2)23(19)31-3/h4,7-8,10-11,14,17H,5-6,9,12-13,15H2,1-3H3,(H,26,28)/t17-/m1/s1
InChIKeyXUPDRUPPRGOIQX-QGZVFWFLSA-N
MW428.50 g/mol
LogP4.42
Rot. Bonds7

About 3-[(3R)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide

3-[(3R)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide (PubChem CID 25302828) has the molecular formula C24H29FN2O4 and a molecular weight of 428.50 g/mol. Its IUPAC name is 3-[(3R)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[(3R)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
PubChem CID25302828
Molecular FormulaC24H29FN2O4
Molecular Weight428.50 g/mol
Exact Mass428.21
IUPAC Name3-[(3R)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
SMILESCOc1cccc(C(=O)N2CCC[C@H](CCC(=O)Nc3ccc(F)cc3C)C2)c1OC
InChIInChI=1S/C24H29FN2O4/c1-16-14-18(25)10-11-20(16)26-22(28)12-9-17-6-5-13-27(15-17)24(29)19-7-4-8-21(30-2)23(19)31-3/h4,7-8,10-11,14,17H,5-6,9,12-13,15H2,1-3H3,(H,26,28)/t17-/m1/s1
InChIKeyXUPDRUPPRGOIQX-QGZVFWFLSA-N
XLogP4.42
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(3R)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide 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-(4-fluoro-2-methylphenyl)-3-[1-(1H-indazole-3-carbonyl)piperidin-3-yl]propanamide
CID 45207440
3-[1-(4-acetamidobenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 45241928
3-[(3R)-1-(cyclopentene-1-carbonyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 26410657
N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]propanamide
CID 25301291
N-(4-fluoro-2-methylphenyl)-3-[(3R)-1-(3-hydroxypyridine-2-carbonyl)piperidin-3-yl]propanamide
CID 97269258
N-(4-fluoro-2-methylphenyl)-3-[1-(6-oxo-1H-pyrimidine-5-carbonyl)piperidin-3-yl]propanamide
CID 72857419
N-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-(2-methylbenzoyl)piperidin-3-yl]propanamide
CID 42193450
N-(4-fluoro-2-methylphenyl)-3-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-3-yl]propanamide
CID 42392284
[3-(2-aminoethyl)piperidin-1-yl]-(2,3-dimethoxyphenyl)methanone;hydrochloride
CID 120727463
3-[1-[2-(azepan-1-yl)acetyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 45179339
3-[(3S)-1-[2-(azepan-1-yl)acetyl]piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 42286411
[3-(bromomethyl)piperidin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 80661384

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide?
The IUPAC name of 3-[(3R)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide (CID 25302828) is 3-[(3R)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide.
What is the SMILES notation for 3-[(3R)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide?
The canonical SMILES for 3-[(3R)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide is COc1cccc(C(=O)N2CCC[C@H](CCC(=O)Nc3ccc(F)cc3C)C2)c1OC.
What is the InChIKey of 3-[(3R)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide?
The InChIKey is XUPDRUPPRGOIQX-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H29FN2O4/c1-16-14-18(25)10-11-20(16)26-22(28)12-9-17-6-5-13-27(15-17)24(29)19-7-4-8-21(30-2)23(19)31-3/h4,7-8,10-11,14,17H,5-6,9,12-13,15H2,1-3H3,(H,26,28)/t17-/m1/s1.
What are the key properties of 3-[(3R)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide?
3-[(3R)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide has a molecular weight of 428.50 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide is sourced from PubChem (CID 25302828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).