N-cyclopropyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

C18H22N2O2 — CID 26693864

IUPACN-cyclopropyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(C(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C18H22N2O2/c21-17(9-6-14-4-2-1-3-5-14)20-12-10-15(11-13-20)18(22)19-16-7-8-16/h1-6,9,15-16H,7-8,10-13H2,(H,19,22)/b9-6+
InChIKeyXVPWEBWEQNRWLI-RMKNXTFCSA-N
MW298.39 g/mol
LogP2.22
Rot. Bonds4

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

N-cyclopropyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide (PubChem CID 26693864) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-cyclopropyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
PubChem CID26693864
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-cyclopropyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(C(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C18H22N2O2/c21-17(9-6-14-4-2-1-3-5-14)20-12-10-15(11-13-20)18(22)19-16-7-8-16/h1-6,9,15-16H,7-8,10-13H2,(H,19,22)/b9-6+
InChIKeyXVPWEBWEQNRWLI-RMKNXTFCSA-N
XLogP2.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.22
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-(1,1-dioxothiolan-3-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 51240387
1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 846355
N-(2-chlorophenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26574940
N-[3-(cyclopropanecarbonylamino)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 38326782
(E)-1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-en-1-one
CID 43415922
N-(3-methylbutyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26637084
ethane;1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbaldehyde
CID 91411827
1-[(E)-3-phenylprop-2-enoyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 46522990
1-[(E)-3-phenylprop-2-enoyl]-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
CID 24644222
(E)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 26773682
N-[1-(3-pyridin-2-ylprop-2-enoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 103598850
N-[3-(cyclopropylsulfamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 33310480

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide (CID 26693864) is N-cyclopropyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide is O=C(NC1CC1)C1CCN(C(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of N-cyclopropyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The InChIKey is XVPWEBWEQNRWLI-RMKNXTFCSA-N. The full InChI is InChI=1S/C18H22N2O2/c21-17(9-6-14-4-2-1-3-5-14)20-12-10-15(11-13-20)18(22)19-16-7-8-16/h1-6,9,15-16H,7-8,10-13H2,(H,19,22)/b9-6+.
What are the key properties of N-cyclopropyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
N-cyclopropyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide is sourced from PubChem (CID 26693864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).