2-(4-amino-2,3,5,6-tetramethylanilino)-N-[1-(4-fluorophenyl)piperidin-4-yl]propanamide

C24H33FN4O — CID 91255983

IUPAC2-(4-amino-2,3,5,6-tetramethylanilino)-N-[1-(4-fluorophenyl)piperidin-4-yl]propanamide
SMILESCc1c(C)c(NC(C)C(=O)NC2CCN(c3ccc(F)cc3)CC2)c(C)c(C)c1N
InChIInChI=1S/C24H33FN4O/c1-14-16(3)23(17(4)15(2)22(14)26)27-18(5)24(30)28-20-10-12-29(13-11-20)21-8-6-19(25)7-9-21/h6-9,18,20,27H,10-13,26H2,1-5H3,(H,28,30)
InChIKeyUASCWXAGSLEDPZ-UHFFFAOYSA-N
MW412.55 g/mol
LogP4.23
Rot. Bonds5

About 2-(4-amino-2,3,5,6-tetramethylanilino)-N-[1-(4-fluorophenyl)piperidin-4-yl]propanamide

2-(4-amino-2,3,5,6-tetramethylanilino)-N-[1-(4-fluorophenyl)piperidin-4-yl]propanamide (PubChem CID 91255983) has the molecular formula C24H33FN4O and a molecular weight of 412.55 g/mol. Its IUPAC name is 2-(4-amino-2,3,5,6-tetramethylanilino)-N-[1-(4-fluorophenyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-(4-amino-2,3,5,6-tetramethylanilino)-N-[1-(4-fluorophenyl)piperidin-4-yl]propanamide
PubChem CID91255983
Molecular FormulaC24H33FN4O
Molecular Weight412.55 g/mol
Exact Mass412.26
IUPAC Name2-(4-amino-2,3,5,6-tetramethylanilino)-N-[1-(4-fluorophenyl)piperidin-4-yl]propanamide
SMILESCc1c(C)c(NC(C)C(=O)NC2CCN(c3ccc(F)cc3)CC2)c(C)c(C)c1N
InChIInChI=1S/C24H33FN4O/c1-14-16(3)23(17(4)15(2)22(14)26)27-18(5)24(30)28-20-10-12-29(13-11-20)21-8-6-19(25)7-9-21/h6-9,18,20,27H,10-13,26H2,1-5H3,(H,28,30)
InChIKeyUASCWXAGSLEDPZ-UHFFFAOYSA-N
XLogP4.23
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.55
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[1-(4-fluorophenyl)piperidin-4-yl]urea
CID 68772038
2-(4-amino-2,3,5,6-tetramethylanilino)-N-[1-(4-phenoxyphenyl)piperidin-4-yl]butanamide
CID 90963000
(2R)-2-amino-N-[1-(4-fluorophenyl)piperidin-4-yl]-3-methyl-3-methylsulfanylbutanamide
CID 162628209
N-[1-(4-fluorophenyl)piperidin-4-yl]-2-pyrrol-1-ylbutanamide
CID 118767116
2-(4-fluoroanilino)-N-(4-methylcyclohexyl)propanamide
CID 47145467
N-(5-amino-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide;dihydrochloride
CID 120569030
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-pyrrolidin-3-ylpropanamide
CID 119453015
N-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-fluorobenzamide
CID 47053580
N-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 47127339
2-(3-amino-2,4,6-trimethylanilino)-N-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]propanamide
CID 91511083
N-cyclopropyl-2-(2,5-difluoroanilino)propanamide
CID 43083939
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]pyrrolidine-1-carboxamide
CID 126436399

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,3,5,6-tetramethylanilino)-N-[1-(4-fluorophenyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-(4-amino-2,3,5,6-tetramethylanilino)-N-[1-(4-fluorophenyl)piperidin-4-yl]propanamide (CID 91255983) is 2-(4-amino-2,3,5,6-tetramethylanilino)-N-[1-(4-fluorophenyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-(4-amino-2,3,5,6-tetramethylanilino)-N-[1-(4-fluorophenyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-(4-amino-2,3,5,6-tetramethylanilino)-N-[1-(4-fluorophenyl)piperidin-4-yl]propanamide is Cc1c(C)c(NC(C)C(=O)NC2CCN(c3ccc(F)cc3)CC2)c(C)c(C)c1N.
What is the InChIKey of 2-(4-amino-2,3,5,6-tetramethylanilino)-N-[1-(4-fluorophenyl)piperidin-4-yl]propanamide?
The InChIKey is UASCWXAGSLEDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN4O/c1-14-16(3)23(17(4)15(2)22(14)26)27-18(5)24(30)28-20-10-12-29(13-11-20)21-8-6-19(25)7-9-21/h6-9,18,20,27H,10-13,26H2,1-5H3,(H,28,30).
What are the key properties of 2-(4-amino-2,3,5,6-tetramethylanilino)-N-[1-(4-fluorophenyl)piperidin-4-yl]propanamide?
2-(4-amino-2,3,5,6-tetramethylanilino)-N-[1-(4-fluorophenyl)piperidin-4-yl]propanamide has a molecular weight of 412.55 g/mol, XLogP of 4.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,3,5,6-tetramethylanilino)-N-[1-(4-fluorophenyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 91255983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).