2-(4-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)propanamide

C22H28N4O2 — CID 134062601

IUPAC2-(4-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)propanamide
SMILESCC(=O)Nc1ccc(NC(C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C22H28N4O2/c1-16(23-18-6-8-19(9-7-18)24-17(2)27)22(28)25-20-10-12-21(13-11-20)26-14-4-3-5-15-26/h6-13,16,23H,3-5,14-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyQUUFWJBVVFXHQD-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.07
Rot. Bonds6

About 2-(4-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)propanamide

2-(4-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)propanamide (PubChem CID 134062601) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-(4-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)propanamide
PubChem CID134062601
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name2-(4-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)propanamide
SMILESCC(=O)Nc1ccc(NC(C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C22H28N4O2/c1-16(23-18-6-8-19(9-7-18)24-17(2)27)22(28)25-20-10-12-21(13-11-20)26-14-4-3-5-15-26/h6-13,16,23H,3-5,14-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyQUUFWJBVVFXHQD-UHFFFAOYSA-N
XLogP4.07
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.07
H-Bond Donors ≤ 53
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-acetamidophenyl)-2-[4-(4-ethylpiperazin-1-yl)anilino]propanamide
CID 18532520
(2S)-2-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 41157437
(2R)-N-tert-butyl-2-(4-piperidin-1-ylanilino)propanamide
CID 40809510
(2S)-N-tert-butyl-2-(4-piperidin-1-ylanilino)propanamide
CID 40809509
N-ethyl-2-(4-piperidin-1-ylanilino)propanamide
CID 60673103
(2S)-N-[4-(azepan-1-yl)phenyl]-2-chloropropanamide
CID 51869081
(2R)-2-amino-N-(4-piperidin-1-ylphenyl)propanamide
CID 54996178
2-(4-pyrrolidin-1-ylanilino)propanoic acid
CID 63179408
[(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 4-acetamidobenzoate
CID 7949863
(2R)-N-(2,5-difluorophenyl)-2-(4-piperidin-1-ylanilino)propanamide
CID 25389306
N-propyl-2-(4-pyrrolidin-1-ylanilino)propanamide
CID 60676702
(2R)-2-amino-N-[4-(azepan-1-yl)phenyl]-3-methylbutanamide
CID 79011906

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)propanamide?
The IUPAC name of 2-(4-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)propanamide (CID 134062601) is 2-(4-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)propanamide.
What is the SMILES notation for 2-(4-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)propanamide?
The canonical SMILES for 2-(4-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)propanamide is CC(=O)Nc1ccc(NC(C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1.
What is the InChIKey of 2-(4-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)propanamide?
The InChIKey is QUUFWJBVVFXHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-16(23-18-6-8-19(9-7-18)24-17(2)27)22(28)25-20-10-12-21(13-11-20)26-14-4-3-5-15-26/h6-13,16,23H,3-5,14-15H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 2-(4-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)propanamide?
2-(4-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)propanamide has a molecular weight of 380.49 g/mol, XLogP of 4.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)propanamide is sourced from PubChem (CID 134062601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).