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

C16H23N3O — CID 119879084

IUPAC2-amino-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)acetamide
SMILESC=CCN1CCC(NC(=O)C(N)c2ccccc2)CC1
InChIInChI=1S/C16H23N3O/c1-2-10-19-11-8-14(9-12-19)18-16(20)15(17)13-6-4-3-5-7-13/h2-7,14-15H,1,8-12,17H2,(H,18,20)
InChIKeyXKJYTWVAGVAISZ-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.45
Rot. Bonds5

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

2-amino-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)acetamide (PubChem CID 119879084) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-amino-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)acetamide
PubChem CID119879084
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-amino-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)acetamide
SMILESC=CCN1CCC(NC(=O)C(N)c2ccccc2)CC1
InChIInChI=1S/C16H23N3O/c1-2-10-19-11-8-14(9-12-19)18-16(20)15(17)13-6-4-3-5-7-13/h2-7,14-15H,1,8-12,17H2,(H,18,20)
InChIKeyXKJYTWVAGVAISZ-UHFFFAOYSA-N
XLogP1.45
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.45
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

3-amino-3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide
CID 119953733
(2S)-2-amino-2-phenyl-N-(1-propylpiperidin-4-yl)acetamide
CID 104897650
2-amino-2-phenyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone
CID 61174513
2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-2-phenylacetamide
CID 119278332
4-phenyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 75538554
(2R)-2-amino-N-cycloheptyl-2-phenylacetamide
CID 61148121
3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide
CID 51081790
(2S)-2-amino-N-(1-prop-2-enylpiperidin-4-yl)butanamide
CID 119879124
(2S)-2-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylacetamide
CID 104897197
2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride
CID 119278567
2-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide;dihydrochloride
CID 119947092
4-[[(2R)-2-amino-2-phenylacetyl]amino]-N-ethylpiperidine-1-carboxamide
CID 56867282

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)acetamide?
The IUPAC name of 2-amino-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)acetamide (CID 119879084) is 2-amino-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-amino-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-amino-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)acetamide is C=CCN1CCC(NC(=O)C(N)c2ccccc2)CC1.
What is the InChIKey of 2-amino-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)acetamide?
The InChIKey is XKJYTWVAGVAISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-10-19-11-8-14(9-12-19)18-16(20)15(17)13-6-4-3-5-7-13/h2-7,14-15H,1,8-12,17H2,(H,18,20).
What are the key properties of 2-amino-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)acetamide?
2-amino-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)acetamide has a molecular weight of 273.38 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)acetamide is sourced from PubChem (CID 119879084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).