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

C17H24N2O — CID 51081790

IUPAC3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide
SMILESC=CCN1CCC(NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C17H24N2O/c1-2-12-19-13-10-16(11-14-19)18-17(20)9-8-15-6-4-3-5-7-15/h2-7,16H,1,8-14H2,(H,18,20)
InChIKeyJQDVNANEFXJAOT-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.39
Rot. Bonds6

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

3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide (PubChem CID 51081790) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide
PubChem CID51081790
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide
SMILESC=CCN1CCC(NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C17H24N2O/c1-2-12-19-13-10-16(11-14-19)18-17(20)9-8-15-6-4-3-5-7-15/h2-7,16H,1,8-14H2,(H,18,20)
InChIKeyJQDVNANEFXJAOT-UHFFFAOYSA-N
XLogP2.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-ethylpiperidin-4-yl)-4-phenylbutanamide
CID 17250229
3-amino-3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide
CID 119953733
N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328
2-[4-(3-phenylpropanoylamino)piperidin-1-yl]-N-prop-2-enylbenzamide
CID 46037750
4-phenyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 75538554
N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 33220250
N-[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide
CID 55738194
N-(1-methylpiperidin-4-yl)-4-phenylbutanamide
CID 2971184
2-[4-(3-phenylpropanoylamino)piperidine-1-carbonyl]benzoic acid
CID 113083308
2-amino-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)acetamide
CID 119879084
N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 108561867
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide
CID 51947538

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide?
The IUPAC name of 3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide (CID 51081790) is 3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide is C=CCN1CCC(NC(=O)CCc2ccccc2)CC1.
What is the InChIKey of 3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide?
The InChIKey is JQDVNANEFXJAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-12-19-13-10-16(11-14-19)18-17(20)9-8-15-6-4-3-5-7-15/h2-7,16H,1,8-14H2,(H,18,20).
What are the key properties of 3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide?
3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide has a molecular weight of 272.39 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide is sourced from PubChem (CID 51081790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).