4-piperidin-1-yl-3-[3-(2,3,4-trimethoxyphenyl)propanoylamino]benzamide

C24H31N3O5 — CID 55909549

IUPAC4-piperidin-1-yl-3-[3-(2,3,4-trimethoxyphenyl)propanoylamino]benzamide
SMILESCOc1ccc(CCC(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)c(OC)c1OC
InChIInChI=1S/C24H31N3O5/c1-30-20-11-8-16(22(31-2)23(20)32-3)9-12-21(28)26-18-15-17(24(25)29)7-10-19(18)27-13-5-4-6-14-27/h7-8,10-11,15H,4-6,9,12-14H2,1-3H3,(H2,25,29)(H,26,28)
InChIKeyHFJZCCYSHZYTHP-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.37
Rot. Bonds9

About 4-piperidin-1-yl-3-[3-(2,3,4-trimethoxyphenyl)propanoylamino]benzamide

4-piperidin-1-yl-3-[3-(2,3,4-trimethoxyphenyl)propanoylamino]benzamide (PubChem CID 55909549) has the molecular formula C24H31N3O5 and a molecular weight of 441.53 g/mol. Its IUPAC name is 4-piperidin-1-yl-3-[3-(2,3,4-trimethoxyphenyl)propanoylamino]benzamide.

Molecular Properties

Compound Name4-piperidin-1-yl-3-[3-(2,3,4-trimethoxyphenyl)propanoylamino]benzamide
PubChem CID55909549
Molecular FormulaC24H31N3O5
Molecular Weight441.53 g/mol
Exact Mass441.23
IUPAC Name4-piperidin-1-yl-3-[3-(2,3,4-trimethoxyphenyl)propanoylamino]benzamide
SMILESCOc1ccc(CCC(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)c(OC)c1OC
InChIInChI=1S/C24H31N3O5/c1-30-20-11-8-16(22(31-2)23(20)32-3)9-12-21(28)26-18-15-17(24(25)29)7-10-19(18)27-13-5-4-6-14-27/h7-8,10-11,15H,4-6,9,12-14H2,1-3H3,(H2,25,29)(H,26,28)
InChIKeyHFJZCCYSHZYTHP-UHFFFAOYSA-N
XLogP3.37
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-4-piperidin-1-ylbenzamide
CID 55528687
3-(butanoylamino)-4-methoxybenzamide
CID 47243869
3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-4-piperidin-1-ylbenzamide
CID 30778979
3-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]-4-piperidin-1-ylbenzamide
CID 55909801
3-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-piperidin-1-ylbenzamide
CID 55552771
3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 41269421
4-(2-amino-2-oxoethoxy)-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-3-chloro-5-methoxybenzamide
CID 24614219
3-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]-4-piperidin-1-ylbenzamide
CID 55553963
N-(5-chloro-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 26292366
N-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24675902
3-[[2-(4-iodophenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide
CID 55553639
3-[[2-(3-methylphenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide
CID 75413856

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-3-[3-(2,3,4-trimethoxyphenyl)propanoylamino]benzamide?
The IUPAC name of 4-piperidin-1-yl-3-[3-(2,3,4-trimethoxyphenyl)propanoylamino]benzamide (CID 55909549) is 4-piperidin-1-yl-3-[3-(2,3,4-trimethoxyphenyl)propanoylamino]benzamide.
What is the SMILES notation for 4-piperidin-1-yl-3-[3-(2,3,4-trimethoxyphenyl)propanoylamino]benzamide?
The canonical SMILES for 4-piperidin-1-yl-3-[3-(2,3,4-trimethoxyphenyl)propanoylamino]benzamide is COc1ccc(CCC(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)c(OC)c1OC.
What is the InChIKey of 4-piperidin-1-yl-3-[3-(2,3,4-trimethoxyphenyl)propanoylamino]benzamide?
The InChIKey is HFJZCCYSHZYTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5/c1-30-20-11-8-16(22(31-2)23(20)32-3)9-12-21(28)26-18-15-17(24(25)29)7-10-19(18)27-13-5-4-6-14-27/h7-8,10-11,15H,4-6,9,12-14H2,1-3H3,(H2,25,29)(H,26,28).
What are the key properties of 4-piperidin-1-yl-3-[3-(2,3,4-trimethoxyphenyl)propanoylamino]benzamide?
4-piperidin-1-yl-3-[3-(2,3,4-trimethoxyphenyl)propanoylamino]benzamide has a molecular weight of 441.53 g/mol, XLogP of 3.37, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-3-[3-(2,3,4-trimethoxyphenyl)propanoylamino]benzamide is sourced from PubChem (CID 55909549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).