3-phenyl-N-piperidin-3-yl-N-propylprop-2-enamide

C17H24N2O — CID 77002821

IUPAC3-phenyl-N-piperidin-3-yl-N-propylprop-2-enamide
SMILESCCCN(C(=O)C=Cc1ccccc1)C1CCCNC1
InChIInChI=1S/C17H24N2O/c1-2-13-19(16-9-6-12-18-14-16)17(20)11-10-15-7-4-3-5-8-15/h3-5,7-8,10-11,16,18H,2,6,9,12-14H2,1H3
InChIKeyPXQSTYROAZTTLD-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.69
Rot. Bonds5

About 3-phenyl-N-piperidin-3-yl-N-propylprop-2-enamide

3-phenyl-N-piperidin-3-yl-N-propylprop-2-enamide (PubChem CID 77002821) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-phenyl-N-piperidin-3-yl-N-propylprop-2-enamide.

Molecular Properties

Compound Name3-phenyl-N-piperidin-3-yl-N-propylprop-2-enamide
PubChem CID77002821
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3-phenyl-N-piperidin-3-yl-N-propylprop-2-enamide
SMILESCCCN(C(=O)C=Cc1ccccc1)C1CCCNC1
InChIInChI=1S/C17H24N2O/c1-2-13-19(16-9-6-12-18-14-16)17(20)11-10-15-7-4-3-5-8-15/h3-5,7-8,10-11,16,18H,2,6,9,12-14H2,1H3
InChIKeyPXQSTYROAZTTLD-UHFFFAOYSA-N
XLogP2.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminocyclohexyl)-3-phenyl-N-propylprop-2-enamide
CID 79116877
(E)-3-(4-propan-2-ylphenyl)-N-propyl-N-pyrrolidin-3-ylprop-2-enamide
CID 82177259
2-(2-fluorophenyl)-N-piperidin-3-yl-N-propylacetamide
CID 60799977
2-methyl-N-piperidin-3-yl-N-propylcyclopropane-1-carboxamide
CID 60807764
2-(4-fluorophenyl)-N-piperidin-3-yl-N-propylacetamide
CID 60805878
2-(4-methylphenyl)-N-piperidin-3-yl-N-propylacetamide
CID 60799979
2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532603
6-oxo-N-piperidin-3-yl-N-propylpyran-3-carboxamide
CID 63637793
N-piperidin-3-yl-N-propylpyridine-3-carboxamide
CID 63638133
N-(2-cyanoethyl)-N-cyclopropyl-3-phenylprop-2-enamide
CID 76870677
(E)-N-(2-cyanoethyl)-N-cyclopropyl-3-phenylprop-2-enamide
CID 60587560
5-oxo-N-piperidin-3-yl-N-propylpyrrolidine-3-carboxamide
CID 83192629

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-piperidin-3-yl-N-propylprop-2-enamide?
The IUPAC name of 3-phenyl-N-piperidin-3-yl-N-propylprop-2-enamide (CID 77002821) is 3-phenyl-N-piperidin-3-yl-N-propylprop-2-enamide.
What is the SMILES notation for 3-phenyl-N-piperidin-3-yl-N-propylprop-2-enamide?
The canonical SMILES for 3-phenyl-N-piperidin-3-yl-N-propylprop-2-enamide is CCCN(C(=O)C=Cc1ccccc1)C1CCCNC1.
What is the InChIKey of 3-phenyl-N-piperidin-3-yl-N-propylprop-2-enamide?
The InChIKey is PXQSTYROAZTTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-13-19(16-9-6-12-18-14-16)17(20)11-10-15-7-4-3-5-8-15/h3-5,7-8,10-11,16,18H,2,6,9,12-14H2,1H3.
What are the key properties of 3-phenyl-N-piperidin-3-yl-N-propylprop-2-enamide?
3-phenyl-N-piperidin-3-yl-N-propylprop-2-enamide has a molecular weight of 272.39 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-piperidin-3-yl-N-propylprop-2-enamide is sourced from PubChem (CID 77002821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).