3-(N-acetyl-4-piperidin-1-ylanilino)-N-(2-methoxyphenyl)propanamide

C23H29N3O3 — CID 113132097

IUPAC3-(N-acetyl-4-piperidin-1-ylanilino)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCN(C(C)=O)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C23H29N3O3/c1-18(27)26(17-14-23(28)24-21-8-4-5-9-22(21)29-2)20-12-10-19(11-13-20)25-15-6-3-7-16-25/h4-5,8-13H,3,6-7,14-17H2,1-2H3,(H,24,28)
InChIKeySIOJOHDFRVQDPL-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.07
Rot. Bonds7

About 3-(N-acetyl-4-piperidin-1-ylanilino)-N-(2-methoxyphenyl)propanamide

3-(N-acetyl-4-piperidin-1-ylanilino)-N-(2-methoxyphenyl)propanamide (PubChem CID 113132097) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 3-(N-acetyl-4-piperidin-1-ylanilino)-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-piperidin-1-ylanilino)-N-(2-methoxyphenyl)propanamide
PubChem CID113132097
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name3-(N-acetyl-4-piperidin-1-ylanilino)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCN(C(C)=O)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C23H29N3O3/c1-18(27)26(17-14-23(28)24-21-8-4-5-9-22(21)29-2)20-12-10-19(11-13-20)25-15-6-3-7-16-25/h4-5,8-13H,3,6-7,14-17H2,1-2H3,(H,24,28)
InChIKeySIOJOHDFRVQDPL-UHFFFAOYSA-N
XLogP4.07
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.07
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-3,5-dimethylanilino)-N-(2-methoxyphenyl)propanamide
CID 113124754
2-(N-acetyl-4-piperidin-1-ylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 113177176
3-(N-acetyl-4-piperidin-1-ylanilino)-N-benzylpropanamide
CID 113132055
3-(N-acetyl-4-pyrrolidin-1-ylanilino)propanoic acid
CID 82320452
3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(2-fluorophenyl)propanamide
CID 113132144
3-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109039433
methyl 3-[acetyl-[3-(2-methoxyanilino)-3-oxopropyl]amino]benzoate
CID 113131426
3-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113132001
3-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 113131951
3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-N-(2-methoxyphenyl)propanamide
CID 87015722
1-(2-methoxyphenyl)-3-[(4-piperidin-1-ylphenyl)methyl]urea
CID 94393323
3-[acetyl(propyl)amino]-N-(2-methoxyphenyl)propanamide
CID 113115042

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-piperidin-1-ylanilino)-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-4-piperidin-1-ylanilino)-N-(2-methoxyphenyl)propanamide (CID 113132097) is 3-(N-acetyl-4-piperidin-1-ylanilino)-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-4-piperidin-1-ylanilino)-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-4-piperidin-1-ylanilino)-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)CCN(C(C)=O)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of 3-(N-acetyl-4-piperidin-1-ylanilino)-N-(2-methoxyphenyl)propanamide?
The InChIKey is SIOJOHDFRVQDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-18(27)26(17-14-23(28)24-21-8-4-5-9-22(21)29-2)20-12-10-19(11-13-20)25-15-6-3-7-16-25/h4-5,8-13H,3,6-7,14-17H2,1-2H3,(H,24,28).
What are the key properties of 3-(N-acetyl-4-piperidin-1-ylanilino)-N-(2-methoxyphenyl)propanamide?
3-(N-acetyl-4-piperidin-1-ylanilino)-N-(2-methoxyphenyl)propanamide has a molecular weight of 395.50 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-4-piperidin-1-ylanilino)-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 113132097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).