2-[acetyl(benzyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide

C23H29N3O2 — CID 113161313

IUPAC2-[acetyl(benzyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(N2CCC(C)CC2)cc1)Cc1ccccc1
InChIInChI=1S/C23H29N3O2/c1-18-12-14-25(15-13-18)22-10-8-21(9-11-22)24-23(28)17-26(19(2)27)16-20-6-4-3-5-7-20/h3-11,18H,12-17H2,1-2H3,(H,24,28)
InChIKeyFAOLHAWSMCWMPT-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.91
Rot. Bonds6

About 2-[acetyl(benzyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide

2-[acetyl(benzyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide (PubChem CID 113161313) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-[acetyl(benzyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(benzyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
PubChem CID113161313
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-[acetyl(benzyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(N2CCC(C)CC2)cc1)Cc1ccccc1
InChIInChI=1S/C23H29N3O2/c1-18-12-14-25(15-13-18)22-10-8-21(9-11-22)24-23(28)17-26(19(2)27)16-20-6-4-3-5-7-20/h3-11,18H,12-17H2,1-2H3,(H,24,28)
InChIKeyFAOLHAWSMCWMPT-UHFFFAOYSA-N
XLogP3.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[acetyl(pyridin-4-ylmethyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113163901
1-benzyl-1-ethyl-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108989048
4-[4-[[2-[acetyl(benzyl)amino]acetyl]amino]phenyl]-N-cyclohexylpiperazine-1-carboxamide
CID 42676680
N'-benzyl-N'-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide
CID 108946159
2-[acetyl(cyclopropyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113158453
3-[acetyl(pyridin-3-ylmethyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 113120493
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 113162820
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(2-phenylethylamino)acetamide
CID 108999945
N-benzyl-N-ethyl-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide
CID 108999041
2-[acetyl(pyridin-3-ylmethyl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 113163705
3-[acetyl(2-phenylethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 113120869
N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-(3-phenylpropyl)oxamide
CID 108986246

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(benzyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-[acetyl(benzyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide (CID 113161313) is 2-[acetyl(benzyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[acetyl(benzyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[acetyl(benzyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide is CC(=O)N(CC(=O)Nc1ccc(N2CCC(C)CC2)cc1)Cc1ccccc1.
What is the InChIKey of 2-[acetyl(benzyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide?
The InChIKey is FAOLHAWSMCWMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-18-12-14-25(15-13-18)22-10-8-21(9-11-22)24-23(28)17-26(19(2)27)16-20-6-4-3-5-7-20/h3-11,18H,12-17H2,1-2H3,(H,24,28).
What are the key properties of 2-[acetyl(benzyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide?
2-[acetyl(benzyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide has a molecular weight of 379.50 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(benzyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 113161313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).