N-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide

C17H24N4O2 — CID 47043547

IUPACN-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCN(C(=O)CC3C=CCC3)CC2)cn1
InChIInChI=1S/C17H24N4O2/c1-20-12-14(11-18-20)17(23)19-15-6-8-21(9-7-15)16(22)10-13-4-2-3-5-13/h2,4,11-13,15H,3,5-10H2,1H3,(H,19,23)
InChIKeySEWRMJNYPLCFRY-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.50
Rot. Bonds4

About N-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide

N-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 47043547) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
PubChem CID47043547
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC NameN-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCN(C(=O)CC3C=CCC3)CC2)cn1
InChIInChI=1S/C17H24N4O2/c1-20-12-14(11-18-20)17(23)19-15-6-8-21(9-7-15)16(22)10-13-4-2-3-5-13/h2,4,11-13,15H,3,5-10H2,1H3,(H,19,23)
InChIKeySEWRMJNYPLCFRY-UHFFFAOYSA-N
XLogP1.50
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.50
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-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide (CID 47043547) is N-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NC2CCN(C(=O)CC3C=CCC3)CC2)cn1.
What is the InChIKey of N-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is SEWRMJNYPLCFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-20-12-14(11-18-20)17(23)19-15-6-8-21(9-7-15)16(22)10-13-4-2-3-5-13/h2,4,11-13,15H,3,5-10H2,1H3,(H,19,23).
What are the key properties of N-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
N-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyclopent-2-en-1-ylacetyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 47043547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).