3-amino-3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide

C17H25N3O — CID 119953733

IUPAC3-amino-3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide
SMILESC=CCN1CCC(NC(=O)CC(N)c2ccccc2)CC1
InChIInChI=1S/C17H25N3O/c1-2-10-20-11-8-15(9-12-20)19-17(21)13-16(18)14-6-4-3-5-7-14/h2-7,15-16H,1,8-13,18H2,(H,19,21)
InChIKeyCFGMMLOADRRZHR-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.84
Rot. Bonds6

About 3-amino-3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide

3-amino-3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide (PubChem CID 119953733) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-amino-3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-amino-3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide
PubChem CID119953733
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-amino-3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide
SMILESC=CCN1CCC(NC(=O)CC(N)c2ccccc2)CC1
InChIInChI=1S/C17H25N3O/c1-2-10-20-11-8-15(9-12-20)19-17(21)13-16(18)14-6-4-3-5-7-14/h2-7,15-16H,1,8-13,18H2,(H,19,21)
InChIKeyCFGMMLOADRRZHR-UHFFFAOYSA-N
XLogP1.84
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)acetamide
CID 119879084
3-amino-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 43711347
3-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide
CID 43711758
3-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenylpropanamide;hydrochloride
CID 119949354
3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide
CID 51081790
3-amino-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-3-phenylpropanamide
CID 119953980
4-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 61160281
3-amino-3-phenyl-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
CID 119950959
3-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide;hydrochloride
CID 119949671
3-amino-N-[1-(4-tert-butylphenyl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
CID 119953381
4-phenyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 75538554
3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-3-phenylpropanamide
CID 79401824

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide?
The IUPAC name of 3-amino-3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide (CID 119953733) is 3-amino-3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-amino-3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-amino-3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide is C=CCN1CCC(NC(=O)CC(N)c2ccccc2)CC1.
What is the InChIKey of 3-amino-3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide?
The InChIKey is CFGMMLOADRRZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-10-20-11-8-15(9-12-20)19-17(21)13-16(18)14-6-4-3-5-7-14/h2-7,15-16H,1,8-13,18H2,(H,19,21).
What are the key properties of 3-amino-3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide?
3-amino-3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide has a molecular weight of 287.41 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide is sourced from PubChem (CID 119953733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).