3-(piperidin-4-ylmethylamino)cyclopent-2-en-1-one

C11H18N2O — CID 94830330

IUPAC3-(piperidin-4-ylmethylamino)cyclopent-2-en-1-one
SMILESO=C1C=C(NCC2CCNCC2)CC1
InChIInChI=1S/C11H18N2O/c14-11-2-1-10(7-11)13-8-9-3-5-12-6-4-9/h7,9,12-13H,1-6,8H2
InChIKeyZUXZFFBHOZVPBP-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.82
Rot. Bonds3

About 3-(piperidin-4-ylmethylamino)cyclopent-2-en-1-one

3-(piperidin-4-ylmethylamino)cyclopent-2-en-1-one (PubChem CID 94830330) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-(piperidin-4-ylmethylamino)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(piperidin-4-ylmethylamino)cyclopent-2-en-1-one
PubChem CID94830330
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-(piperidin-4-ylmethylamino)cyclopent-2-en-1-one
SMILESO=C1C=C(NCC2CCNCC2)CC1
InChIInChI=1S/C11H18N2O/c14-11-2-1-10(7-11)13-8-9-3-5-12-6-4-9/h7,9,12-13H,1-6,8H2
InChIKeyZUXZFFBHOZVPBP-UHFFFAOYSA-N
XLogP0.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-4-ylmethylamino)cyclopent-2-en-1-one?
The IUPAC name of 3-(piperidin-4-ylmethylamino)cyclopent-2-en-1-one (CID 94830330) is 3-(piperidin-4-ylmethylamino)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(piperidin-4-ylmethylamino)cyclopent-2-en-1-one?
The canonical SMILES for 3-(piperidin-4-ylmethylamino)cyclopent-2-en-1-one is O=C1C=C(NCC2CCNCC2)CC1.
What is the InChIKey of 3-(piperidin-4-ylmethylamino)cyclopent-2-en-1-one?
The InChIKey is ZUXZFFBHOZVPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c14-11-2-1-10(7-11)13-8-9-3-5-12-6-4-9/h7,9,12-13H,1-6,8H2.
What are the key properties of 3-(piperidin-4-ylmethylamino)cyclopent-2-en-1-one?
3-(piperidin-4-ylmethylamino)cyclopent-2-en-1-one has a molecular weight of 194.28 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-4-ylmethylamino)cyclopent-2-en-1-one is sourced from PubChem (CID 94830330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).