N-[1-(3-phenylpropanoyl)piperidin-4-yl]prop-2-enamide

C17H22N2O2 — CID 166406035

IUPACN-[1-(3-phenylpropanoyl)piperidin-4-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C17H22N2O2/c1-2-16(20)18-15-10-12-19(13-11-15)17(21)9-8-14-6-4-3-5-7-14/h2-7,15H,1,8-13H2,(H,18,20)
InChIKeyJEAZXHVMTGZPNF-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.91
Rot. Bonds5

About N-[1-(3-phenylpropanoyl)piperidin-4-yl]prop-2-enamide

N-[1-(3-phenylpropanoyl)piperidin-4-yl]prop-2-enamide (PubChem CID 166406035) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[1-(3-phenylpropanoyl)piperidin-4-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-(3-phenylpropanoyl)piperidin-4-yl]prop-2-enamide
PubChem CID166406035
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[1-(3-phenylpropanoyl)piperidin-4-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C17H22N2O2/c1-2-16(20)18-15-10-12-19(13-11-15)17(21)9-8-14-6-4-3-5-7-14/h2-7,15H,1,8-13H2,(H,18,20)
InChIKeyJEAZXHVMTGZPNF-UHFFFAOYSA-N
XLogP1.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1-(3-phenylpropanoyl)piperidin-4-yl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
2,2,2-trifluoro-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 108548737
(2R)-2-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]propanamide
CID 119295787
N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 108561867
1-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 119295785
N-[2,2,5,5-tetramethyl-1-[1-(3-phenylpropanoyl)piperidin-4-yl]sulfonylpyrrolidin-3-yl]prop-2-enamide
CID 89238925
1-[3-(methylamino)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 81425109
N-[1-(3-phenylpropanoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108554058
5-oxo-N-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 110820856
2-chloroethyl N-[1-(3-phenylpropanoyl)piperidin-4-yl]carbamate
CID 108566100
ethyl 4-oxo-4-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]butanoate
CID 108566087
N-[3-[methyl-[1-(3-phenylpropanoyl)piperidin-4-yl]sulfonylamino]propyl]prop-2-enamide
CID 89237621

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-phenylpropanoyl)piperidin-4-yl]prop-2-enamide?
The IUPAC name of N-[1-(3-phenylpropanoyl)piperidin-4-yl]prop-2-enamide (CID 166406035) is N-[1-(3-phenylpropanoyl)piperidin-4-yl]prop-2-enamide.
What is the SMILES notation for N-[1-(3-phenylpropanoyl)piperidin-4-yl]prop-2-enamide?
The canonical SMILES for N-[1-(3-phenylpropanoyl)piperidin-4-yl]prop-2-enamide is C=CC(=O)NC1CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-[1-(3-phenylpropanoyl)piperidin-4-yl]prop-2-enamide?
The InChIKey is JEAZXHVMTGZPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-16(20)18-15-10-12-19(13-11-15)17(21)9-8-14-6-4-3-5-7-14/h2-7,15H,1,8-13H2,(H,18,20).
What are the key properties of N-[1-(3-phenylpropanoyl)piperidin-4-yl]prop-2-enamide?
N-[1-(3-phenylpropanoyl)piperidin-4-yl]prop-2-enamide has a molecular weight of 286.38 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-phenylpropanoyl)piperidin-4-yl]prop-2-enamide is sourced from PubChem (CID 166406035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).