1-[(E)-3-cyclohexylprop-2-enoyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide

C19H26N4O2 — CID 75407533

IUPAC1-[(E)-3-cyclohexylprop-2-enoyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ncccn1)C1CCN(C(=O)/C=C/C2CCCCC2)CC1
InChIInChI=1S/C19H26N4O2/c24-17(8-7-15-5-2-1-3-6-15)23-13-9-16(10-14-23)18(25)22-19-20-11-4-12-21-19/h4,7-8,11-12,15-16H,1-3,5-6,9-10,13-14H2,(H,20,21,22,25)/b8-7+
InChIKeyVLKITKWFWMLUSZ-BQYQJAHWSA-N
MW342.44 g/mol
LogP2.79
Rot. Bonds4

About 1-[(E)-3-cyclohexylprop-2-enoyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide

1-[(E)-3-cyclohexylprop-2-enoyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 75407533) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[(E)-3-cyclohexylprop-2-enoyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(E)-3-cyclohexylprop-2-enoyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID75407533
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[(E)-3-cyclohexylprop-2-enoyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ncccn1)C1CCN(C(=O)/C=C/C2CCCCC2)CC1
InChIInChI=1S/C19H26N4O2/c24-17(8-7-15-5-2-1-3-6-15)23-13-9-16(10-14-23)18(25)22-19-20-11-4-12-21-19/h4,7-8,11-12,15-16H,1-3,5-6,9-10,13-14H2,(H,20,21,22,25)/b8-7+
InChIKeyVLKITKWFWMLUSZ-BQYQJAHWSA-N
XLogP2.79
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-cyclohexylprop-2-enoyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[(E)-3-cyclohexylprop-2-enoyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide (CID 75407533) is 1-[(E)-3-cyclohexylprop-2-enoyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(E)-3-cyclohexylprop-2-enoyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(E)-3-cyclohexylprop-2-enoyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide is O=C(Nc1ncccn1)C1CCN(C(=O)/C=C/C2CCCCC2)CC1.
What is the InChIKey of 1-[(E)-3-cyclohexylprop-2-enoyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is VLKITKWFWMLUSZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H26N4O2/c24-17(8-7-15-5-2-1-3-6-15)23-13-9-16(10-14-23)18(25)22-19-20-11-4-12-21-19/h4,7-8,11-12,15-16H,1-3,5-6,9-10,13-14H2,(H,20,21,22,25)/b8-7+.
What are the key properties of 1-[(E)-3-cyclohexylprop-2-enoyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide?
1-[(E)-3-cyclohexylprop-2-enoyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-cyclohexylprop-2-enoyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 75407533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).