N-(4-aminophenyl)-2-(3-methoxypiperidin-1-yl)propanamide

C15H23N3O2 — CID 102956363

IUPACN-(4-aminophenyl)-2-(3-methoxypiperidin-1-yl)propanamide
SMILESCOC1CCCN(C(C)C(=O)Nc2ccc(N)cc2)C1
InChIInChI=1S/C15H23N3O2/c1-11(18-9-3-4-14(10-18)20-2)15(19)17-13-7-5-12(16)6-8-13/h5-8,11,14H,3-4,9-10,16H2,1-2H3,(H,17,19)
InChIKeyVKTKOESTDLVHDG-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.71
Rot. Bonds4

About N-(4-aminophenyl)-2-(3-methoxypiperidin-1-yl)propanamide

N-(4-aminophenyl)-2-(3-methoxypiperidin-1-yl)propanamide (PubChem CID 102956363) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(3-methoxypiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(3-methoxypiperidin-1-yl)propanamide
PubChem CID102956363
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(4-aminophenyl)-2-(3-methoxypiperidin-1-yl)propanamide
SMILESCOC1CCCN(C(C)C(=O)Nc2ccc(N)cc2)C1
InChIInChI=1S/C15H23N3O2/c1-11(18-9-3-4-14(10-18)20-2)15(19)17-13-7-5-12(16)6-8-13/h5-8,11,14H,3-4,9-10,16H2,1-2H3,(H,17,19)
InChIKeyVKTKOESTDLVHDG-UHFFFAOYSA-N
XLogP1.71
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)propanamide
CID 102956440
2-[(3R)-3-methoxypyrrolidin-1-yl]-N-(4-methylsulfanylphenyl)propanamide
CID 154749994
(2S)-N-(4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275474
1-[1-(4-aminoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 16781124
N-(2-amino-4-fluorophenyl)-2-(3-methoxypyrrolidin-1-yl)propanamide
CID 103530921
N-[4-(aminomethyl)phenyl]-2-(4-methoxypiperidin-1-yl)propanamide
CID 43372637
N-[4-(aminomethyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43590166
N-[1-(4-chlorophenyl)ethyl]-2-(3-methoxypiperidin-1-yl)propanamide
CID 166189153
N-(3-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propanamide
CID 106586020
1-(4-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one
CID 102960681
N-(4-chlorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 4824476
N-(4-aminophenyl)-2-piperazin-1-ylpropanamide
CID 82224554

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(3-methoxypiperidin-1-yl)propanamide?
The IUPAC name of N-(4-aminophenyl)-2-(3-methoxypiperidin-1-yl)propanamide (CID 102956363) is N-(4-aminophenyl)-2-(3-methoxypiperidin-1-yl)propanamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(3-methoxypiperidin-1-yl)propanamide?
The canonical SMILES for N-(4-aminophenyl)-2-(3-methoxypiperidin-1-yl)propanamide is COC1CCCN(C(C)C(=O)Nc2ccc(N)cc2)C1.
What is the InChIKey of N-(4-aminophenyl)-2-(3-methoxypiperidin-1-yl)propanamide?
The InChIKey is VKTKOESTDLVHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(18-9-3-4-14(10-18)20-2)15(19)17-13-7-5-12(16)6-8-13/h5-8,11,14H,3-4,9-10,16H2,1-2H3,(H,17,19).
What are the key properties of N-(4-aminophenyl)-2-(3-methoxypiperidin-1-yl)propanamide?
N-(4-aminophenyl)-2-(3-methoxypiperidin-1-yl)propanamide has a molecular weight of 277.37 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-(3-methoxypiperidin-1-yl)propanamide is sourced from PubChem (CID 102956363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).