N-(3-amino-4-methoxyphenyl)-2-(4-benzylpiperidin-1-yl)propanamide

C22H29N3O2 — CID 119419687

IUPACN-(3-amino-4-methoxyphenyl)-2-(4-benzylpiperidin-1-yl)propanamide
SMILESCOc1ccc(NC(=O)C(C)N2CCC(Cc3ccccc3)CC2)cc1N
InChIInChI=1S/C22H29N3O2/c1-16(22(26)24-19-8-9-21(27-2)20(23)15-19)25-12-10-18(11-13-25)14-17-6-4-3-5-7-17/h3-9,15-16,18H,10-14,23H2,1-2H3,(H,24,26)
InChIKeyGBOGRZJJTJSZOU-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.56
Rot. Bonds6

About N-(3-amino-4-methoxyphenyl)-2-(4-benzylpiperidin-1-yl)propanamide

N-(3-amino-4-methoxyphenyl)-2-(4-benzylpiperidin-1-yl)propanamide (PubChem CID 119419687) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-2-(4-benzylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-2-(4-benzylpiperidin-1-yl)propanamide
PubChem CID119419687
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-(3-amino-4-methoxyphenyl)-2-(4-benzylpiperidin-1-yl)propanamide
SMILESCOc1ccc(NC(=O)C(C)N2CCC(Cc3ccccc3)CC2)cc1N
InChIInChI=1S/C22H29N3O2/c1-16(22(26)24-19-8-9-21(27-2)20(23)15-19)25-12-10-18(11-13-25)14-17-6-4-3-5-7-17/h3-9,15-16,18H,10-14,23H2,1-2H3,(H,24,26)
InChIKeyGBOGRZJJTJSZOU-UHFFFAOYSA-N
XLogP3.56
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.56
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-acetylphenyl)-2-(4-benzylpiperidin-1-yl)propanamide
CID 84868889
(2R)-2-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide
CID 2654181
(2R)-2-(4-benzylpiperidin-1-yl)-N-(3-cyanophenyl)propanamide
CID 2535656
2-(4-benzoylpiperidin-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 51322952
2-(4-benzylpiperidin-1-yl)-1-phenylpropan-1-one
CID 45258253
N-(6-amino-1,3-benzodioxol-5-yl)-2-(4-benzylpiperidin-1-yl)propanamide;dihydrochloride
CID 119618488
2-(4-benzylpiperidin-1-yl)propanoic acid
CID 20986530
N-(2-aminoethyl)-2-(4-benzylpiperidin-1-yl)propanamide
CID 119383721
(2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide
CID 93328769
5-[(4-benzylpiperidin-1-yl)methyl]-2-methoxyaniline
CID 39448734
N-(3-amino-4-chlorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide
CID 64569431
2-(4-benzhydrylpiperazin-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 55430572

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-2-(4-benzylpiperidin-1-yl)propanamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-2-(4-benzylpiperidin-1-yl)propanamide (CID 119419687) is N-(3-amino-4-methoxyphenyl)-2-(4-benzylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-2-(4-benzylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-2-(4-benzylpiperidin-1-yl)propanamide is COc1ccc(NC(=O)C(C)N2CCC(Cc3ccccc3)CC2)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-2-(4-benzylpiperidin-1-yl)propanamide?
The InChIKey is GBOGRZJJTJSZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-16(22(26)24-19-8-9-21(27-2)20(23)15-19)25-12-10-18(11-13-25)14-17-6-4-3-5-7-17/h3-9,15-16,18H,10-14,23H2,1-2H3,(H,24,26).
What are the key properties of N-(3-amino-4-methoxyphenyl)-2-(4-benzylpiperidin-1-yl)propanamide?
N-(3-amino-4-methoxyphenyl)-2-(4-benzylpiperidin-1-yl)propanamide has a molecular weight of 367.49 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-2-(4-benzylpiperidin-1-yl)propanamide is sourced from PubChem (CID 119419687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).