N-[1-(furan-2-yl)propan-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

C22H26N2O3 — CID 55614736

IUPACN-[1-(furan-2-yl)propan-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
SMILESCC(Cc1ccco1)NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C22H26N2O3/c1-17(16-20-8-5-15-27-20)23-22(26)19-11-13-24(14-12-19)21(25)10-9-18-6-3-2-4-7-18/h2-10,15,17,19H,11-14,16H2,1H3,(H,23,26)/b10-9+
InChIKeyVMMQFRHNIRAQGS-MDZDMXLPSA-N
MW366.46 g/mol
LogP3.28
Rot. Bonds6

About N-[1-(furan-2-yl)propan-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

N-[1-(furan-2-yl)propan-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide (PubChem CID 55614736) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propan-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propan-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
PubChem CID55614736
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[1-(furan-2-yl)propan-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
SMILESCC(Cc1ccco1)NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C22H26N2O3/c1-17(16-20-8-5-15-27-20)23-22(26)19-11-13-24(14-12-19)21(25)10-9-18-6-3-2-4-7-18/h2-10,15,17,19H,11-14,16H2,1H3,(H,23,26)/b10-9+
InChIKeyVMMQFRHNIRAQGS-MDZDMXLPSA-N
XLogP3.28
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(furan-2-yl)propan-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide 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-[(2S)-1-(furan-2-yl)propan-2-yl]-1-sulfamoylpiperidine-4-carboxamide
CID 32598215
(E)-1-[4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 86913295
N-(3-methylbutyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26637084
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 18734983
1-[2-[1-(furan-2-yl)propan-2-ylamino]acetyl]piperidine-4-carboxylic acid
CID 103242392
N-cyclopropyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26693864
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 46575630
1-[(E)-3-phenylprop-2-enoyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 46522990
N-[1-(2,4-dichlorophenyl)ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 17485493
N-(furan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 43009560
ethane;1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbaldehyde
CID 91411827
N-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 76854172

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide (CID 55614736) is N-[1-(furan-2-yl)propan-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(furan-2-yl)propan-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The canonical SMILES for N-[1-(furan-2-yl)propan-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide is CC(Cc1ccco1)NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of N-[1-(furan-2-yl)propan-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The InChIKey is VMMQFRHNIRAQGS-MDZDMXLPSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-17(16-20-8-5-15-27-20)23-22(26)19-11-13-24(14-12-19)21(25)10-9-18-6-3-2-4-7-18/h2-10,15,17,19H,11-14,16H2,1H3,(H,23,26)/b10-9+.
What are the key properties of N-[1-(furan-2-yl)propan-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
N-[1-(furan-2-yl)propan-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)propan-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide is sourced from PubChem (CID 55614736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).