3-(4-piperidin-1-ylanilino)-N-(4-propan-2-yloxyphenyl)propanamide

C23H31N3O2 — CID 109040218

IUPAC3-(4-piperidin-1-ylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccc(NC(=O)CCNc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C23H31N3O2/c1-18(2)28-22-12-8-20(9-13-22)25-23(27)14-15-24-19-6-10-21(11-7-19)26-16-4-3-5-17-26/h6-13,18,24H,3-5,14-17H2,1-2H3,(H,25,27)
InChIKeyOWJYLRSLMCVEJD-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.90
Rot. Bonds8

About 3-(4-piperidin-1-ylanilino)-N-(4-propan-2-yloxyphenyl)propanamide

3-(4-piperidin-1-ylanilino)-N-(4-propan-2-yloxyphenyl)propanamide (PubChem CID 109040218) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 3-(4-piperidin-1-ylanilino)-N-(4-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-piperidin-1-ylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
PubChem CID109040218
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name3-(4-piperidin-1-ylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccc(NC(=O)CCNc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C23H31N3O2/c1-18(2)28-22-12-8-20(9-13-22)25-23(27)14-15-24-19-6-10-21(11-7-19)26-16-4-3-5-17-26/h6-13,18,24H,3-5,14-17H2,1-2H3,(H,25,27)
InChIKeyOWJYLRSLMCVEJD-UHFFFAOYSA-N
XLogP4.90
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.90
H-Bond Donors ≤ 52
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

N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041781
3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041751
N-phenyl-3-(4-piperidin-1-ylanilino)propanamide
CID 109033849
methyl 4-[[3-oxo-3-(4-piperidin-1-ylanilino)propyl]amino]benzoate
CID 109041517
N-phenyl-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109033848
N-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109037669
methyl 4-[3-(4-pyrrolidin-1-ylanilino)propanoylamino]benzoate
CID 109041473
3-(4-ethylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109036370
3-(3-methylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109034292
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
3-acetamido-N-[4-(azepan-1-yl)phenyl]propanamide
CID 17462050
N-(4-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 109039631

Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-1-ylanilino)-N-(4-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-(4-piperidin-1-ylanilino)-N-(4-propan-2-yloxyphenyl)propanamide (CID 109040218) is 3-(4-piperidin-1-ylanilino)-N-(4-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-(4-piperidin-1-ylanilino)-N-(4-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-(4-piperidin-1-ylanilino)-N-(4-propan-2-yloxyphenyl)propanamide is CC(C)Oc1ccc(NC(=O)CCNc2ccc(N3CCCCC3)cc2)cc1.
What is the InChIKey of 3-(4-piperidin-1-ylanilino)-N-(4-propan-2-yloxyphenyl)propanamide?
The InChIKey is OWJYLRSLMCVEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-18(2)28-22-12-8-20(9-13-22)25-23(27)14-15-24-19-6-10-21(11-7-19)26-16-4-3-5-17-26/h6-13,18,24H,3-5,14-17H2,1-2H3,(H,25,27).
What are the key properties of 3-(4-piperidin-1-ylanilino)-N-(4-propan-2-yloxyphenyl)propanamide?
3-(4-piperidin-1-ylanilino)-N-(4-propan-2-yloxyphenyl)propanamide has a molecular weight of 381.52 g/mol, XLogP of 4.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperidin-1-ylanilino)-N-(4-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 109040218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).