N-cyclopent-3-en-1-yl-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide

C15H21N5O — CID 86791348

IUPACN-cyclopent-3-en-1-yl-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide
SMILESCc1nccc(N2CCN(C(=O)NC3CC=CC3)CC2)n1
InChIInChI=1S/C15H21N5O/c1-12-16-7-6-14(17-12)19-8-10-20(11-9-19)15(21)18-13-4-2-3-5-13/h2-3,6-7,13H,4-5,8-11H2,1H3,(H,18,21)
InChIKeyJPLMZBNRGCDGTC-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.34
Rot. Bonds2

About N-cyclopent-3-en-1-yl-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide

N-cyclopent-3-en-1-yl-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide (PubChem CID 86791348) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-cyclopent-3-en-1-yl-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopent-3-en-1-yl-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide
PubChem CID86791348
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-cyclopent-3-en-1-yl-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide
SMILESCc1nccc(N2CCN(C(=O)NC3CC=CC3)CC2)n1
InChIInChI=1S/C15H21N5O/c1-12-16-7-6-14(17-12)19-8-10-20(11-9-19)15(21)18-13-4-2-3-5-13/h2-3,6-7,13H,4-5,8-11H2,1H3,(H,18,21)
InChIKeyJPLMZBNRGCDGTC-UHFFFAOYSA-N
XLogP1.34
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopent-3-en-1-yl-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-cyclopent-3-en-1-yl-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide (CID 86791348) is N-cyclopent-3-en-1-yl-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclopent-3-en-1-yl-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclopent-3-en-1-yl-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide is Cc1nccc(N2CCN(C(=O)NC3CC=CC3)CC2)n1.
What is the InChIKey of N-cyclopent-3-en-1-yl-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide?
The InChIKey is JPLMZBNRGCDGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-12-16-7-6-14(17-12)19-8-10-20(11-9-19)15(21)18-13-4-2-3-5-13/h2-3,6-7,13H,4-5,8-11H2,1H3,(H,18,21).
What are the key properties of N-cyclopent-3-en-1-yl-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide?
N-cyclopent-3-en-1-yl-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopent-3-en-1-yl-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 86791348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).