2-(4-benzoylpiperidin-1-yl)-N-(3,4-dimethoxyphenyl)propanamide

C23H28N2O4 — CID 51322952

IUPAC2-(4-benzoylpiperidin-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)N2CCC(C(=O)c3ccccc3)CC2)cc1OC
InChIInChI=1S/C23H28N2O4/c1-16(23(27)24-19-9-10-20(28-2)21(15-19)29-3)25-13-11-18(12-14-25)22(26)17-7-5-4-6-8-17/h4-10,15-16,18H,11-14H2,1-3H3,(H,24,27)
InChIKeyKLBPAKKEMMYUCJ-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.63
Rot. Bonds7

About 2-(4-benzoylpiperidin-1-yl)-N-(3,4-dimethoxyphenyl)propanamide

2-(4-benzoylpiperidin-1-yl)-N-(3,4-dimethoxyphenyl)propanamide (PubChem CID 51322952) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-(4-benzoylpiperidin-1-yl)-N-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(4-benzoylpiperidin-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
PubChem CID51322952
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name2-(4-benzoylpiperidin-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)N2CCC(C(=O)c3ccccc3)CC2)cc1OC
InChIInChI=1S/C23H28N2O4/c1-16(23(27)24-19-9-10-20(28-2)21(15-19)29-3)25-13-11-18(12-14-25)22(26)17-7-5-4-6-8-17/h4-10,15-16,18H,11-14H2,1-3H3,(H,24,27)
InChIKeyKLBPAKKEMMYUCJ-UHFFFAOYSA-N
XLogP3.63
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzoylpiperidin-1-yl)-N-(2,5-dimethoxyphenyl)propanamide
CID 16605888
2-(4-benzhydrylpiperazin-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 55430572
2-(4-benzoylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide
CID 17444836
2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 16605982
(2S)-N-(3,4-dimethoxyphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
CID 41414942
2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(3-methylphenyl)propanamide
CID 55865284
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 17449931
(2S)-N-(3,4-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 9275552
N-(3-amino-4-methoxyphenyl)-2-(4-benzylpiperidin-1-yl)propanamide
CID 119419687
(2S)-2-(4-benzoylpiperidin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propanamide
CID 26038452
2-(4-benzoylpiperidin-1-yl)-N-tert-butylpropanamide
CID 18144798
N-(3,4-dimethoxyphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 46630982

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperidin-1-yl)-N-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of 2-(4-benzoylpiperidin-1-yl)-N-(3,4-dimethoxyphenyl)propanamide (CID 51322952) is 2-(4-benzoylpiperidin-1-yl)-N-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 2-(4-benzoylpiperidin-1-yl)-N-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 2-(4-benzoylpiperidin-1-yl)-N-(3,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)C(C)N2CCC(C(=O)c3ccccc3)CC2)cc1OC.
What is the InChIKey of 2-(4-benzoylpiperidin-1-yl)-N-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is KLBPAKKEMMYUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-16(23(27)24-19-9-10-20(28-2)21(15-19)29-3)25-13-11-18(12-14-25)22(26)17-7-5-4-6-8-17/h4-10,15-16,18H,11-14H2,1-3H3,(H,24,27).
What are the key properties of 2-(4-benzoylpiperidin-1-yl)-N-(3,4-dimethoxyphenyl)propanamide?
2-(4-benzoylpiperidin-1-yl)-N-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 396.49 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperidin-1-yl)-N-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 51322952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).