N-[3-(aminomethyl)phenyl]-3-(3-methoxypiperidin-1-yl)propanamide

C16H25N3O2 — CID 102956603

IUPACN-[3-(aminomethyl)phenyl]-3-(3-methoxypiperidin-1-yl)propanamide
SMILESCOC1CCCN(CCC(=O)Nc2cccc(CN)c2)C1
InChIInChI=1S/C16H25N3O2/c1-21-15-6-3-8-19(12-15)9-7-16(20)18-14-5-2-4-13(10-14)11-17/h2,4-5,10,15H,3,6-9,11-12,17H2,1H3,(H,18,20)
InChIKeyDHGHQHZLQVRDDX-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.58
Rot. Bonds6

About N-[3-(aminomethyl)phenyl]-3-(3-methoxypiperidin-1-yl)propanamide

N-[3-(aminomethyl)phenyl]-3-(3-methoxypiperidin-1-yl)propanamide (PubChem CID 102956603) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-3-(3-methoxypiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-3-(3-methoxypiperidin-1-yl)propanamide
PubChem CID102956603
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[3-(aminomethyl)phenyl]-3-(3-methoxypiperidin-1-yl)propanamide
SMILESCOC1CCCN(CCC(=O)Nc2cccc(CN)c2)C1
InChIInChI=1S/C16H25N3O2/c1-21-15-6-3-8-19(12-15)9-7-16(20)18-14-5-2-4-13(10-14)11-17/h2,4-5,10,15H,3,6-9,11-12,17H2,1H3,(H,18,20)
InChIKeyDHGHQHZLQVRDDX-UHFFFAOYSA-N
XLogP1.58
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide
CID 124730854
N-(3-amino-4-fluorophenyl)-3-(3-methoxypiperidin-1-yl)propanamide
CID 102956413
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-[3-(aminomethyl)phenyl]propanamide
CID 115559140
N-[3-(aminomethyl)phenyl]-3-(2,3-dimethylpiperidin-1-yl)propanamide
CID 62124242
N-[3-(aminomethyl)phenyl]-3-(4-ethylpiperazin-1-yl)propanamide
CID 16793720
N-[3-(aminomethyl)phenyl]-3-cyclobutyloxypropanamide
CID 55041403
N-(3-aminophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide
CID 103530969
N-[3-(aminomethyl)phenyl]-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 61407186
N-[3-(aminomethyl)phenyl]-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide
CID 103531213
ethyl (3S)-1-[3-(3-methylanilino)-3-oxopropyl]piperidine-3-carboxylate
CID 739964
N-[3-(aminomethyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 16779298
N-(3-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 739962

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-3-(3-methoxypiperidin-1-yl)propanamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-3-(3-methoxypiperidin-1-yl)propanamide (CID 102956603) is N-[3-(aminomethyl)phenyl]-3-(3-methoxypiperidin-1-yl)propanamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-3-(3-methoxypiperidin-1-yl)propanamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-3-(3-methoxypiperidin-1-yl)propanamide is COC1CCCN(CCC(=O)Nc2cccc(CN)c2)C1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-3-(3-methoxypiperidin-1-yl)propanamide?
The InChIKey is DHGHQHZLQVRDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-21-15-6-3-8-19(12-15)9-7-16(20)18-14-5-2-4-13(10-14)11-17/h2,4-5,10,15H,3,6-9,11-12,17H2,1H3,(H,18,20).
What are the key properties of N-[3-(aminomethyl)phenyl]-3-(3-methoxypiperidin-1-yl)propanamide?
N-[3-(aminomethyl)phenyl]-3-(3-methoxypiperidin-1-yl)propanamide has a molecular weight of 291.39 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-3-(3-methoxypiperidin-1-yl)propanamide is sourced from PubChem (CID 102956603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).