4-acetamido-N-[(4-ethoxyphenyl)methyl]-2-piperidin-1-ylbenzamide

C23H29N3O3 — CID 53145952

IUPAC4-acetamido-N-[(4-ethoxyphenyl)methyl]-2-piperidin-1-ylbenzamide
SMILESCCOc1ccc(CNC(=O)c2ccc(NC(C)=O)cc2N2CCCCC2)cc1
InChIInChI=1S/C23H29N3O3/c1-3-29-20-10-7-18(8-11-20)16-24-23(28)21-12-9-19(25-17(2)27)15-22(21)26-13-5-4-6-14-26/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyCMWWODUKKHFPPG-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.96
Rot. Bonds7

About 4-acetamido-N-[(4-ethoxyphenyl)methyl]-2-piperidin-1-ylbenzamide

4-acetamido-N-[(4-ethoxyphenyl)methyl]-2-piperidin-1-ylbenzamide (PubChem CID 53145952) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 4-acetamido-N-[(4-ethoxyphenyl)methyl]-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name4-acetamido-N-[(4-ethoxyphenyl)methyl]-2-piperidin-1-ylbenzamide
PubChem CID53145952
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name4-acetamido-N-[(4-ethoxyphenyl)methyl]-2-piperidin-1-ylbenzamide
SMILESCCOc1ccc(CNC(=O)c2ccc(NC(C)=O)cc2N2CCCCC2)cc1
InChIInChI=1S/C23H29N3O3/c1-3-29-20-10-7-18(8-11-20)16-24-23(28)21-12-9-19(25-17(2)27)15-22(21)26-13-5-4-6-14-26/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyCMWWODUKKHFPPG-UHFFFAOYSA-N
XLogP3.96
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-4-(cyclopropanecarbonylamino)-N-[(4-methoxyphenyl)methyl]benzamide
CID 53146004
4-acetamido-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)benzamide
CID 53145955
4-acetamido-2-piperidin-1-ylbenzamide
CID 69312911
N-[2-(diethylamino)ethyl]-5-[(4-ethoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 3323472
5-(ethylcarbamoylamino)-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 1065616
N-benzyl-5-[(4-ethylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1054766
5-acetamido-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 3470167
4-acetamido-N-[(2,4-dimethoxyphenyl)methyl]-2-morpholin-4-ylbenzamide
CID 53146056
2-(4-ethoxyphenyl)-N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]acetamide
CID 110601075
N-(1,3-benzodioxol-5-ylmethyl)-4-(cyclobutanecarbonylamino)-2-piperidin-1-ylbenzamide
CID 53145983
N,N'-bis[(4-ethoxyphenyl)methyl]oxamide
CID 125144939
5-[(4-ethoxyphenyl)carbamoylamino]-N-[(1R)-1-phenylethyl]-2-piperidin-1-ylbenzamide
CID 93099771

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(4-ethoxyphenyl)methyl]-2-piperidin-1-ylbenzamide?
The IUPAC name of 4-acetamido-N-[(4-ethoxyphenyl)methyl]-2-piperidin-1-ylbenzamide (CID 53145952) is 4-acetamido-N-[(4-ethoxyphenyl)methyl]-2-piperidin-1-ylbenzamide.
What is the SMILES notation for 4-acetamido-N-[(4-ethoxyphenyl)methyl]-2-piperidin-1-ylbenzamide?
The canonical SMILES for 4-acetamido-N-[(4-ethoxyphenyl)methyl]-2-piperidin-1-ylbenzamide is CCOc1ccc(CNC(=O)c2ccc(NC(C)=O)cc2N2CCCCC2)cc1.
What is the InChIKey of 4-acetamido-N-[(4-ethoxyphenyl)methyl]-2-piperidin-1-ylbenzamide?
The InChIKey is CMWWODUKKHFPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-3-29-20-10-7-18(8-11-20)16-24-23(28)21-12-9-19(25-17(2)27)15-22(21)26-13-5-4-6-14-26/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 4-acetamido-N-[(4-ethoxyphenyl)methyl]-2-piperidin-1-ylbenzamide?
4-acetamido-N-[(4-ethoxyphenyl)methyl]-2-piperidin-1-ylbenzamide has a molecular weight of 395.50 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(4-ethoxyphenyl)methyl]-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 53145952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).