N-(4-aminophenyl)-3-(4,4-dimethylpiperidin-1-yl)propanamide

C16H25N3O — CID 62937712

IUPACN-(4-aminophenyl)-3-(4,4-dimethylpiperidin-1-yl)propanamide
SMILESCC1(C)CCN(CCC(=O)Nc2ccc(N)cc2)CC1
InChIInChI=1S/C16H25N3O/c1-16(2)8-11-19(12-9-16)10-7-15(20)18-14-5-3-13(17)4-6-14/h3-6H,7-12,17H2,1-2H3,(H,18,20)
InChIKeyAPSRHHGCYXPYCW-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.72
Rot. Bonds4

About N-(4-aminophenyl)-3-(4,4-dimethylpiperidin-1-yl)propanamide

N-(4-aminophenyl)-3-(4,4-dimethylpiperidin-1-yl)propanamide (PubChem CID 62937712) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(4-aminophenyl)-3-(4,4-dimethylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-3-(4,4-dimethylpiperidin-1-yl)propanamide
PubChem CID62937712
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-(4-aminophenyl)-3-(4,4-dimethylpiperidin-1-yl)propanamide
SMILESCC1(C)CCN(CCC(=O)Nc2ccc(N)cc2)CC1
InChIInChI=1S/C16H25N3O/c1-16(2)8-11-19(12-9-16)10-7-15(20)18-14-5-3-13(17)4-6-14/h3-6H,7-12,17H2,1-2H3,(H,18,20)
InChIKeyAPSRHHGCYXPYCW-UHFFFAOYSA-N
XLogP2.72
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-3-(3-methylpyrrolidin-1-yl)propanamide
CID 61221645
3-(4,4-dimethylpiperidin-1-yl)propanehydrazide
CID 63573423
N-(5-amino-2-methylphenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 81099067
N-(4-aminophenyl)-4-(4-methoxypiperidin-1-yl)butanamide
CID 43372575
N-(4-aminophenyl)-4-morpholin-4-ylbutanamide
CID 16779642
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methylphenyl)propanamide
CID 109028499
N-[4-(2-aminoethyl)phenyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 148502419
3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-phenylpropanamide
CID 120771754
1-(3-anilino-3-oxopropyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63148218
4-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]propanoylamino]benzamide;hydrochloride
CID 120772509
N-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;dihydrochloride
CID 19661853
4-(3-pyrrolidin-1-ylpropanoylamino)benzamide
CID 110688218

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-3-(4,4-dimethylpiperidin-1-yl)propanamide?
The IUPAC name of N-(4-aminophenyl)-3-(4,4-dimethylpiperidin-1-yl)propanamide (CID 62937712) is N-(4-aminophenyl)-3-(4,4-dimethylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(4-aminophenyl)-3-(4,4-dimethylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(4-aminophenyl)-3-(4,4-dimethylpiperidin-1-yl)propanamide is CC1(C)CCN(CCC(=O)Nc2ccc(N)cc2)CC1.
What is the InChIKey of N-(4-aminophenyl)-3-(4,4-dimethylpiperidin-1-yl)propanamide?
The InChIKey is APSRHHGCYXPYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-16(2)8-11-19(12-9-16)10-7-15(20)18-14-5-3-13(17)4-6-14/h3-6H,7-12,17H2,1-2H3,(H,18,20).
What are the key properties of N-(4-aminophenyl)-3-(4,4-dimethylpiperidin-1-yl)propanamide?
N-(4-aminophenyl)-3-(4,4-dimethylpiperidin-1-yl)propanamide has a molecular weight of 275.40 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-3-(4,4-dimethylpiperidin-1-yl)propanamide is sourced from PubChem (CID 62937712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).