3-(N-acetyl-4-piperidin-1-ylanilino)-N-benzylpropanamide

C23H29N3O2 — CID 113132055

IUPAC3-(N-acetyl-4-piperidin-1-ylanilino)-N-benzylpropanamide
SMILESCC(=O)N(CCC(=O)NCc1ccccc1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C23H29N3O2/c1-19(27)26(17-14-23(28)24-18-20-8-4-2-5-9-20)22-12-10-21(11-13-22)25-15-6-3-7-16-25/h2,4-5,8-13H,3,6-7,14-18H2,1H3,(H,24,28)
InChIKeyRVINFLMIUQIXQI-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.74
Rot. Bonds7

About 3-(N-acetyl-4-piperidin-1-ylanilino)-N-benzylpropanamide

3-(N-acetyl-4-piperidin-1-ylanilino)-N-benzylpropanamide (PubChem CID 113132055) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 3-(N-acetyl-4-piperidin-1-ylanilino)-N-benzylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-piperidin-1-ylanilino)-N-benzylpropanamide
PubChem CID113132055
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name3-(N-acetyl-4-piperidin-1-ylanilino)-N-benzylpropanamide
SMILESCC(=O)N(CCC(=O)NCc1ccccc1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C23H29N3O2/c1-19(27)26(17-14-23(28)24-18-20-8-4-2-5-9-20)22-12-10-21(11-13-22)25-15-6-3-7-16-25/h2,4-5,8-13H,3,6-7,14-18H2,1H3,(H,24,28)
InChIKeyRVINFLMIUQIXQI-UHFFFAOYSA-N
XLogP3.74
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.74
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
3-(N-acetyl-4-pyrrolidin-1-ylanilino)propanoic acid
CID 82320452
3-[N-acetyl-4-(diethylamino)anilino]-N-benzylpropanamide
CID 113131852
3-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-benzyl-N-ethylpropanamide
CID 113131962
3-(N-acetyl-4-piperidin-1-ylanilino)-N-(2-methoxyphenyl)propanamide
CID 113132097
3-benzyl-1-methyl-1-(4-pyrrolidin-1-ylphenyl)urea
CID 110752184
3-(N-acetyl-4-ethoxyanilino)-N-benzylpropanamide
CID 113129395
N-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-2-phenoxyacetamide
CID 113062387
2-(N-acetyl-4-piperidin-1-ylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 113177110
N-benzyl-2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)acetamide
CID 113156273
N-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]propanamide
CID 113062300
N-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]-2-phenoxyacetamide
CID 113062329

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-piperidin-1-ylanilino)-N-benzylpropanamide?
The IUPAC name of 3-(N-acetyl-4-piperidin-1-ylanilino)-N-benzylpropanamide (CID 113132055) is 3-(N-acetyl-4-piperidin-1-ylanilino)-N-benzylpropanamide.
What is the SMILES notation for 3-(N-acetyl-4-piperidin-1-ylanilino)-N-benzylpropanamide?
The canonical SMILES for 3-(N-acetyl-4-piperidin-1-ylanilino)-N-benzylpropanamide is CC(=O)N(CCC(=O)NCc1ccccc1)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of 3-(N-acetyl-4-piperidin-1-ylanilino)-N-benzylpropanamide?
The InChIKey is RVINFLMIUQIXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-19(27)26(17-14-23(28)24-18-20-8-4-2-5-9-20)22-12-10-21(11-13-22)25-15-6-3-7-16-25/h2,4-5,8-13H,3,6-7,14-18H2,1H3,(H,24,28).
What are the key properties of 3-(N-acetyl-4-piperidin-1-ylanilino)-N-benzylpropanamide?
3-(N-acetyl-4-piperidin-1-ylanilino)-N-benzylpropanamide has a molecular weight of 379.50 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-4-piperidin-1-ylanilino)-N-benzylpropanamide is sourced from PubChem (CID 113132055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).