N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide

C24H32N4O — CID 109041781

IUPACN-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
SMILESO=C(CCNc1ccc(N2CCCC2)cc1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C24H32N4O/c29-24(26-21-8-12-23(13-9-21)27-16-2-1-3-17-27)14-15-25-20-6-10-22(11-7-20)28-18-4-5-19-28/h6-13,25H,1-5,14-19H2,(H,26,29)
InChIKeyGRRCWJSNHNIZAK-UHFFFAOYSA-N
MW392.55 g/mol
LogP4.72
Rot. Bonds7

About N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide

N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide (PubChem CID 109041781) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
PubChem CID109041781
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC NameN-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
SMILESO=C(CCNc1ccc(N2CCCC2)cc1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C24H32N4O/c29-24(26-21-8-12-23(13-9-21)27-16-2-1-3-17-27)14-15-25-20-6-10-22(11-7-20)28-18-4-5-19-28/h6-13,25H,1-5,14-19H2,(H,26,29)
InChIKeyGRRCWJSNHNIZAK-UHFFFAOYSA-N
XLogP4.72
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 54.72
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

3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041751
N-phenyl-3-(4-piperidin-1-ylanilino)propanamide
CID 109033849
N-phenyl-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109033848
N-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109037669
methyl 4-[[3-oxo-3-(4-piperidin-1-ylanilino)propyl]amino]benzoate
CID 109041517
3-(4-piperidin-1-ylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109040218
methyl 4-[3-(4-pyrrolidin-1-ylanilino)propanoylamino]benzoate
CID 109041473
3-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041778
3-(3-methylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109034292
N-(2,6-dichlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041798
3-acetamido-N-[4-(azepan-1-yl)phenyl]propanamide
CID 17462050
3-(4-piperidin-1-ylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 109041851

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide?
The IUPAC name of N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide (CID 109041781) is N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide.
What is the SMILES notation for N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide?
The canonical SMILES for N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide is O=C(CCNc1ccc(N2CCCC2)cc1)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide?
The InChIKey is GRRCWJSNHNIZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O/c29-24(26-21-8-12-23(13-9-21)27-16-2-1-3-17-27)14-15-25-20-6-10-22(11-7-20)28-18-4-5-19-28/h6-13,25H,1-5,14-19H2,(H,26,29).
What are the key properties of N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide?
N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide has a molecular weight of 392.55 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide is sourced from PubChem (CID 109041781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).