2-(N-acetyl-4-piperidin-1-ylanilino)-N-[(2-methylphenyl)methyl]acetamide

C23H29N3O2 — CID 113177110

IUPAC2-(N-acetyl-4-piperidin-1-ylanilino)-N-[(2-methylphenyl)methyl]acetamide
SMILESCC(=O)N(CC(=O)NCc1ccccc1C)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C23H29N3O2/c1-18-8-4-5-9-20(18)16-24-23(28)17-26(19(2)27)22-12-10-21(11-13-22)25-14-6-3-7-15-25/h4-5,8-13H,3,6-7,14-17H2,1-2H3,(H,24,28)
InChIKeyQMTTXDWOMIFYIU-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.65
Rot. Bonds6

About 2-(N-acetyl-4-piperidin-1-ylanilino)-N-[(2-methylphenyl)methyl]acetamide

2-(N-acetyl-4-piperidin-1-ylanilino)-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 113177110) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-(N-acetyl-4-piperidin-1-ylanilino)-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-piperidin-1-ylanilino)-N-[(2-methylphenyl)methyl]acetamide
PubChem CID113177110
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-(N-acetyl-4-piperidin-1-ylanilino)-N-[(2-methylphenyl)methyl]acetamide
SMILESCC(=O)N(CC(=O)NCc1ccccc1C)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C23H29N3O2/c1-18-8-4-5-9-20(18)16-24-23(28)17-26(19(2)27)22-12-10-21(11-13-22)25-14-6-3-7-15-25/h4-5,8-13H,3,6-7,14-17H2,1-2H3,(H,24,28)
InChIKeyQMTTXDWOMIFYIU-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
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

3-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 113131951
2-(N-acetyl-4-piperidin-1-ylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 113177122
2-(N,4-diacetylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 113175570
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-phenylacetamide
CID 113177016
3-(N-acetyl-4-piperidin-1-ylanilino)-N-benzylpropanamide
CID 113132055
2-(N-acetyl-4-piperidin-1-ylanilino)-N-(1-phenylethyl)acetamide
CID 113177113
N-(4-acetamidophenyl)-2-(N-acetyl-4-pyrrolidin-1-ylanilino)acetamide
CID 113177065
2-(N,4-diacetylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 113175689
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113177048
2-(N-acetylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113167096
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113176972
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113177050

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-piperidin-1-ylanilino)-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(N-acetyl-4-piperidin-1-ylanilino)-N-[(2-methylphenyl)methyl]acetamide (CID 113177110) is 2-(N-acetyl-4-piperidin-1-ylanilino)-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-4-piperidin-1-ylanilino)-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(N-acetyl-4-piperidin-1-ylanilino)-N-[(2-methylphenyl)methyl]acetamide is CC(=O)N(CC(=O)NCc1ccccc1C)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-(N-acetyl-4-piperidin-1-ylanilino)-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is QMTTXDWOMIFYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-18-8-4-5-9-20(18)16-24-23(28)17-26(19(2)27)22-12-10-21(11-13-22)25-14-6-3-7-15-25/h4-5,8-13H,3,6-7,14-17H2,1-2H3,(H,24,28).
What are the key properties of 2-(N-acetyl-4-piperidin-1-ylanilino)-N-[(2-methylphenyl)methyl]acetamide?
2-(N-acetyl-4-piperidin-1-ylanilino)-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 379.50 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-piperidin-1-ylanilino)-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 113177110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).