2-(N-acetyl-4-piperidin-1-ylanilino)-N-(1-phenylethyl)acetamide

C23H29N3O2 — CID 113177113

IUPAC2-(N-acetyl-4-piperidin-1-ylanilino)-N-(1-phenylethyl)acetamide
SMILESCC(=O)N(CC(=O)NC(C)c1ccccc1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C23H29N3O2/c1-18(20-9-5-3-6-10-20)24-23(28)17-26(19(2)27)22-13-11-21(12-14-22)25-15-7-4-8-16-25/h3,5-6,9-14,18H,4,7-8,15-17H2,1-2H3,(H,24,28)
InChIKeyZTTJGRLKVQCNQS-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.91
Rot. Bonds6

About 2-(N-acetyl-4-piperidin-1-ylanilino)-N-(1-phenylethyl)acetamide

2-(N-acetyl-4-piperidin-1-ylanilino)-N-(1-phenylethyl)acetamide (PubChem CID 113177113) 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-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-piperidin-1-ylanilino)-N-(1-phenylethyl)acetamide
PubChem CID113177113
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-(N-acetyl-4-piperidin-1-ylanilino)-N-(1-phenylethyl)acetamide
SMILESCC(=O)N(CC(=O)NC(C)c1ccccc1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C23H29N3O2/c1-18(20-9-5-3-6-10-20)24-23(28)17-26(19(2)27)22-13-11-21(12-14-22)25-15-7-4-8-16-25/h3,5-6,9-14,18H,4,7-8,15-17H2,1-2H3,(H,24,28)
InChIKeyZTTJGRLKVQCNQS-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-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-phenylacetamide
CID 113177016
2-[N-acetyl-4-(diethylamino)anilino]-N-(1-phenylethyl)acetamide
CID 113176846
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 43891952
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 43897263
2-(N-acetyl-4-piperidin-1-ylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 113177110
2-(N-acetyl-3,4-dichloroanilino)-N-(1-phenylethyl)acetamide
CID 113179432
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 43892474
ethyl 4-[acetyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzoate
CID 113178821
2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(1-phenylethyl)acetamide
CID 113178241
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-ethyl-N-phenylacetamide
CID 113177031
N-(4-acetamidophenyl)-2-(N-acetyl-4-pyrrolidin-1-ylanilino)acetamide
CID 113177065
N-(1-phenylethyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109020180

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-piperidin-1-ylanilino)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(N-acetyl-4-piperidin-1-ylanilino)-N-(1-phenylethyl)acetamide (CID 113177113) is 2-(N-acetyl-4-piperidin-1-ylanilino)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-4-piperidin-1-ylanilino)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(N-acetyl-4-piperidin-1-ylanilino)-N-(1-phenylethyl)acetamide is CC(=O)N(CC(=O)NC(C)c1ccccc1)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-(N-acetyl-4-piperidin-1-ylanilino)-N-(1-phenylethyl)acetamide?
The InChIKey is ZTTJGRLKVQCNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-18(20-9-5-3-6-10-20)24-23(28)17-26(19(2)27)22-13-11-21(12-14-22)25-15-7-4-8-16-25/h3,5-6,9-14,18H,4,7-8,15-17H2,1-2H3,(H,24,28).
What are the key properties of 2-(N-acetyl-4-piperidin-1-ylanilino)-N-(1-phenylethyl)acetamide?
2-(N-acetyl-4-piperidin-1-ylanilino)-N-(1-phenylethyl)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-(N-acetyl-4-piperidin-1-ylanilino)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 113177113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).