2-(N-acetyl-4-piperidin-1-ylanilino)-N-(2-methoxy-5-methylphenyl)acetamide

C23H29N3O3 — CID 113177176

IUPAC2-(N-acetyl-4-piperidin-1-ylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN(C(C)=O)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C23H29N3O3/c1-17-7-12-22(29-3)21(15-17)24-23(28)16-26(18(2)27)20-10-8-19(9-11-20)25-13-5-4-6-14-25/h7-12,15H,4-6,13-14,16H2,1-3H3,(H,24,28)
InChIKeyVPSIHRQWGGXIJS-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.99
Rot. Bonds6

About 2-(N-acetyl-4-piperidin-1-ylanilino)-N-(2-methoxy-5-methylphenyl)acetamide

2-(N-acetyl-4-piperidin-1-ylanilino)-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 113177176) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-(N-acetyl-4-piperidin-1-ylanilino)-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-piperidin-1-ylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID113177176
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name2-(N-acetyl-4-piperidin-1-ylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN(C(C)=O)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C23H29N3O3/c1-17-7-12-22(29-3)21(15-17)24-23(28)16-26(18(2)27)20-10-8-19(9-11-20)25-13-5-4-6-14-25/h7-12,15H,4-6,13-14,16H2,1-3H3,(H,24,28)
InChIKeyVPSIHRQWGGXIJS-UHFFFAOYSA-N
XLogP3.99
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-piperidin-1-ylanilino)-N-(2-methoxyphenyl)propanamide
CID 113132097
2-[N-acetyl-4-(4-methylpiperazin-1-yl)anilino]-N-(2,4-dimethylphenyl)acetamide
CID 113177416
N'-(2-methoxy-5-methylphenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]oxamide
CID 16892238
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(2,4-difluorophenyl)acetamide
CID 113177074
2-(N-acetyl-4-methylanilino)-N-(2-methoxyphenyl)acetamide
CID 113167779
N-(4-acetamidophenyl)-2-(N-acetyl-4-pyrrolidin-1-ylanilino)acetamide
CID 113177065
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113177050
2-(N-acetyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113168582
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-phenylacetamide
CID 113177016
N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-2-(4-methylphenoxy)acetamide
CID 110362026
2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 4800986
2-(N,4-diacetylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 113175689

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-piperidin-1-ylanilino)-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-4-piperidin-1-ylanilino)-N-(2-methoxy-5-methylphenyl)acetamide (CID 113177176) is 2-(N-acetyl-4-piperidin-1-ylanilino)-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-4-piperidin-1-ylanilino)-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-4-piperidin-1-ylanilino)-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)CN(C(C)=O)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-(N-acetyl-4-piperidin-1-ylanilino)-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is VPSIHRQWGGXIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-17-7-12-22(29-3)21(15-17)24-23(28)16-26(18(2)27)20-10-8-19(9-11-20)25-13-5-4-6-14-25/h7-12,15H,4-6,13-14,16H2,1-3H3,(H,24,28).
What are the key properties of 2-(N-acetyl-4-piperidin-1-ylanilino)-N-(2-methoxy-5-methylphenyl)acetamide?
2-(N-acetyl-4-piperidin-1-ylanilino)-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 395.50 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-piperidin-1-ylanilino)-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 113177176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).