N-(2,6-dimethylphenyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]propanamide

C24H30N2O3 — CID 55501519

IUPACN-(2,6-dimethylphenyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]propanamide
SMILESCOc1ccc(C(=O)C2CCN(C(C)C(=O)Nc3c(C)cccc3C)CC2)cc1
InChIInChI=1S/C24H30N2O3/c1-16-6-5-7-17(2)22(16)25-24(28)18(3)26-14-12-20(13-15-26)23(27)19-8-10-21(29-4)11-9-19/h5-11,18,20H,12-15H2,1-4H3,(H,25,28)
InChIKeyROIGMPOQMFHOIS-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.23
Rot. Bonds6

About N-(2,6-dimethylphenyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]propanamide

N-(2,6-dimethylphenyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]propanamide (PubChem CID 55501519) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]propanamide
PubChem CID55501519
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN-(2,6-dimethylphenyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]propanamide
SMILESCOc1ccc(C(=O)C2CCN(C(C)C(=O)Nc3c(C)cccc3C)CC2)cc1
InChIInChI=1S/C24H30N2O3/c1-16-6-5-7-17(2)22(16)25-24(28)18(3)26-14-12-20(13-15-26)23(27)19-8-10-21(29-4)11-9-19/h5-11,18,20H,12-15H2,1-4H3,(H,25,28)
InChIKeyROIGMPOQMFHOIS-UHFFFAOYSA-N
XLogP4.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide
CID 3223551
2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 16605982
2-(4-benzoylpiperidin-1-yl)-N-(2,5-dimethoxyphenyl)propanamide
CID 16605888
2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(2-methylphenyl)acetic acid
CID 146134846
2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(3-methylphenyl)propanamide
CID 55865284
2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 43054461
N-(2,5-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide
CID 55865034
2-(4-benzoylpiperidin-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 51322952
2-(4-cyclopentylpiperazin-1-yl)-N-(2,6-dimethylphenyl)propanamide
CID 86928080
methyl 1-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 8741714
2-[4-(4-hydroxybenzoyl)piperidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 86919392
(4-methoxyphenyl)-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]methanone
CID 136524982

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]propanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]propanamide (CID 55501519) is N-(2,6-dimethylphenyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]propanamide is COc1ccc(C(=O)C2CCN(C(C)C(=O)Nc3c(C)cccc3C)CC2)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]propanamide?
The InChIKey is ROIGMPOQMFHOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-16-6-5-7-17(2)22(16)25-24(28)18(3)26-14-12-20(13-15-26)23(27)19-8-10-21(29-4)11-9-19/h5-11,18,20H,12-15H2,1-4H3,(H,25,28).
What are the key properties of N-(2,6-dimethylphenyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]propanamide?
N-(2,6-dimethylphenyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]propanamide has a molecular weight of 394.52 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 55501519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).