N-(3-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propanamide

C16H25N3O2 — CID 106586020

IUPACN-(3-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propanamide
SMILESCOCC1CCCN(C(C)C(=O)Nc2cccc(N)c2)C1
InChIInChI=1S/C16H25N3O2/c1-12(19-8-4-5-13(10-19)11-21-2)16(20)18-15-7-3-6-14(17)9-15/h3,6-7,9,12-13H,4-5,8,10-11,17H2,1-2H3,(H,18,20)
InChIKeyHFANZEKUFPXYQM-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.95
Rot. Bonds5

About N-(3-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propanamide

N-(3-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propanamide (PubChem CID 106586020) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propanamide
PubChem CID106586020
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-(3-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propanamide
SMILESCOCC1CCCN(C(C)C(=O)Nc2cccc(N)c2)C1
InChIInChI=1S/C16H25N3O2/c1-12(19-8-4-5-13(10-19)11-21-2)16(20)18-15-7-3-6-14(17)9-15/h3,6-7,9,12-13H,4-5,8,10-11,17H2,1-2H3,(H,18,20)
InChIKeyHFANZEKUFPXYQM-UHFFFAOYSA-N
XLogP1.95
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminophenyl)-2-piperidin-1-ylpropanamide
CID 16795783
N-(3-aminophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide
CID 61223800
N-(3-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62916842
N-(3-amino-4-chlorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide
CID 64569431
N-(5-amino-2-fluorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide
CID 64569430
N-(3-aminophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propanamide
CID 43584975
N-(3-aminophenyl)-2-(2-ethylmorpholin-4-yl)propanamide
CID 43562298
N,N-diethyl-3-[2-[3-(phenoxymethyl)piperidin-1-yl]propanoylamino]benzamide
CID 86972166
(3S)-1-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 9304789
3-[1-[1-(3-methylsulfanylanilino)-1-oxopropan-2-yl]piperidin-3-yl]propanoic acid
CID 122101195
N-[4-(aminomethyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43590166
N-(3-aminophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide
CID 43581148

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-(3-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propanamide (CID 106586020) is N-(3-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(3-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(3-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propanamide is COCC1CCCN(C(C)C(=O)Nc2cccc(N)c2)C1.
What is the InChIKey of N-(3-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propanamide?
The InChIKey is HFANZEKUFPXYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(19-8-4-5-13(10-19)11-21-2)16(20)18-15-7-3-6-14(17)9-15/h3,6-7,9,12-13H,4-5,8,10-11,17H2,1-2H3,(H,18,20).
What are the key properties of N-(3-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propanamide?
N-(3-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propanamide has a molecular weight of 291.39 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 106586020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).