3-(2-aminophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide

C18H29N3O — CID 120612241

IUPAC3-(2-aminophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
SMILESCC(C)CN1CCC(NC(=O)CCc2ccccc2N)CC1
InChIInChI=1S/C18H29N3O/c1-14(2)13-21-11-9-16(10-12-21)20-18(22)8-7-15-5-3-4-6-17(15)19/h3-6,14,16H,7-13,19H2,1-2H3,(H,20,22)
InChIKeyYMINHQGLGYYRHB-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.44
Rot. Bonds6

About 3-(2-aminophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide

3-(2-aminophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide (PubChem CID 120612241) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
PubChem CID120612241
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name3-(2-aminophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
SMILESCC(C)CN1CCC(NC(=O)CCc2ccccc2N)CC1
InChIInChI=1S/C18H29N3O/c1-14(2)13-21-11-9-16(10-12-21)20-18(22)8-7-15-5-3-4-6-17(15)19/h3-6,14,16H,7-13,19H2,1-2H3,(H,20,22)
InChIKeyYMINHQGLGYYRHB-UHFFFAOYSA-N
XLogP2.44
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-(4-propan-2-ylcyclohexyl)propanamide;hydrochloride
CID 120611579
3-(2-aminophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 120608479
3-(2-aminophenyl)-N-(1-phenylpiperidin-4-yl)propanamide
CID 120612685
3-(2-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide;dihydrochloride
CID 120612227
4-[3-(2-aminophenyl)propanoylamino]cyclohexane-1-carboxamide
CID 107272785
3-(2-aminophenyl)-N-(4-methylcyclohexyl)propanamide;hydrochloride
CID 120610600
3-(2-aminophenyl)-N-(1-cyclopropylsulfonylpiperidin-4-yl)propanamide
CID 120611650
3-(2-aminophenyl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide
CID 120608522
3-(2-aminophenyl)-N-[1-(4-bromophenyl)pyrrolidin-3-yl]propanamide
CID 120612958
4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbutanamide;hydrochloride
CID 120609190
N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 71193586
3-(2-aminophenyl)-N-(1-benzyl-2-methylpiperidin-4-yl)propanamide;dihydrochloride
CID 120612982

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide (CID 120612241) is 3-(2-aminophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide is CC(C)CN1CCC(NC(=O)CCc2ccccc2N)CC1.
What is the InChIKey of 3-(2-aminophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide?
The InChIKey is YMINHQGLGYYRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-14(2)13-21-11-9-16(10-12-21)20-18(22)8-7-15-5-3-4-6-17(15)19/h3-6,14,16H,7-13,19H2,1-2H3,(H,20,22).
What are the key properties of 3-(2-aminophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide?
3-(2-aminophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide has a molecular weight of 303.45 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 120612241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).