1-(pyridin-2-ylmethyl)-3-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]pyrrolidin-2-one

C19H25N5O — CID 91925797

IUPAC1-(pyridin-2-ylmethyl)-3-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]pyrrolidin-2-one
SMILESO=C1C(N2CCN(Cc3ccc[nH]3)CC2)CCN1Cc1ccccn1
InChIInChI=1S/C19H25N5O/c25-19-18(6-9-24(19)15-17-4-1-2-7-20-17)23-12-10-22(11-13-23)14-16-5-3-8-21-16/h1-5,7-8,18,21H,6,9-15H2
InChIKeyBBKAWXSDVQWGES-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.33
Rot. Bonds5

About 1-(pyridin-2-ylmethyl)-3-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]pyrrolidin-2-one

1-(pyridin-2-ylmethyl)-3-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]pyrrolidin-2-one (PubChem CID 91925797) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(pyridin-2-ylmethyl)-3-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(pyridin-2-ylmethyl)-3-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]pyrrolidin-2-one
PubChem CID91925797
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-(pyridin-2-ylmethyl)-3-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]pyrrolidin-2-one
SMILESO=C1C(N2CCN(Cc3ccc[nH]3)CC2)CCN1Cc1ccccn1
InChIInChI=1S/C19H25N5O/c25-19-18(6-9-24(19)15-17-4-1-2-7-20-17)23-12-10-22(11-13-23)14-16-5-3-8-21-16/h1-5,7-8,18,21H,6,9-15H2
InChIKeyBBKAWXSDVQWGES-UHFFFAOYSA-N
XLogP1.33
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-2-ylmethyl)-3-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-(pyridin-2-ylmethyl)-3-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]pyrrolidin-2-one (CID 91925797) is 1-(pyridin-2-ylmethyl)-3-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(pyridin-2-ylmethyl)-3-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(pyridin-2-ylmethyl)-3-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]pyrrolidin-2-one is O=C1C(N2CCN(Cc3ccc[nH]3)CC2)CCN1Cc1ccccn1.
What is the InChIKey of 1-(pyridin-2-ylmethyl)-3-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]pyrrolidin-2-one?
The InChIKey is BBKAWXSDVQWGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c25-19-18(6-9-24(19)15-17-4-1-2-7-20-17)23-12-10-22(11-13-23)14-16-5-3-8-21-16/h1-5,7-8,18,21H,6,9-15H2.
What are the key properties of 1-(pyridin-2-ylmethyl)-3-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]pyrrolidin-2-one?
1-(pyridin-2-ylmethyl)-3-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]pyrrolidin-2-one has a molecular weight of 339.44 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-2-ylmethyl)-3-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 91925797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).