4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-2-carbonitrile

C15H19N5O — CID 62926420

IUPAC4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cc(N2CCCC2C(=O)N2CCNCC2)ccn1
InChIInChI=1S/C15H19N5O/c16-11-12-10-13(3-4-18-12)20-7-1-2-14(20)15(21)19-8-5-17-6-9-19/h3-4,10,14,17H,1-2,5-9H2
InChIKeyBBCRQZUMRGMZLG-UHFFFAOYSA-N
MW285.35 g/mol
LogP0.35
Rot. Bonds2

About 4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-2-carbonitrile

4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-2-carbonitrile (PubChem CID 62926420) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-2-carbonitrile
PubChem CID62926420
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cc(N2CCCC2C(=O)N2CCNCC2)ccn1
InChIInChI=1S/C15H19N5O/c16-11-12-10-13(3-4-18-12)20-7-1-2-14(20)15(21)19-8-5-17-6-9-19/h3-4,10,14,17H,1-2,5-9H2
InChIKeyBBCRQZUMRGMZLG-UHFFFAOYSA-N
XLogP0.35
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-2-carbonitrile (CID 62926420) is 4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-2-carbonitrile is N#Cc1cc(N2CCCC2C(=O)N2CCNCC2)ccn1.
What is the InChIKey of 4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is BBCRQZUMRGMZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c16-11-12-10-13(3-4-18-12)20-7-1-2-14(20)15(21)19-8-5-17-6-9-19/h3-4,10,14,17H,1-2,5-9H2.
What are the key properties of 4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-2-carbonitrile?
4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 285.35 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 62926420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).