2-(4-pentanoylpiperazin-1-yl)-2-pyridin-3-ylacetonitrile

C16H22N4O — CID 10446714

IUPAC2-(4-pentanoylpiperazin-1-yl)-2-pyridin-3-ylacetonitrile
SMILESCCCCC(=O)N1CCN(C(C#N)c2cccnc2)CC1
InChIInChI=1S/C16H22N4O/c1-2-3-6-16(21)20-10-8-19(9-11-20)15(12-17)14-5-4-7-18-13-14/h4-5,7,13,15H,2-3,6,8-11H2,1H3
InChIKeyQRZWCXHAYDPIRQ-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.98
Rot. Bonds5

About 2-(4-pentanoylpiperazin-1-yl)-2-pyridin-3-ylacetonitrile

2-(4-pentanoylpiperazin-1-yl)-2-pyridin-3-ylacetonitrile (PubChem CID 10446714) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(4-pentanoylpiperazin-1-yl)-2-pyridin-3-ylacetonitrile.

Molecular Properties

Compound Name2-(4-pentanoylpiperazin-1-yl)-2-pyridin-3-ylacetonitrile
PubChem CID10446714
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-(4-pentanoylpiperazin-1-yl)-2-pyridin-3-ylacetonitrile
SMILESCCCCC(=O)N1CCN(C(C#N)c2cccnc2)CC1
InChIInChI=1S/C16H22N4O/c1-2-3-6-16(21)20-10-8-19(9-11-20)15(12-17)14-5-4-7-18-13-14/h4-5,7,13,15H,2-3,6,8-11H2,1H3
InChIKeyQRZWCXHAYDPIRQ-UHFFFAOYSA-N
XLogP1.98
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pentanoylpiperazin-1-yl)-2-pyridin-3-ylacetonitrile?
The IUPAC name of 2-(4-pentanoylpiperazin-1-yl)-2-pyridin-3-ylacetonitrile (CID 10446714) is 2-(4-pentanoylpiperazin-1-yl)-2-pyridin-3-ylacetonitrile.
What is the SMILES notation for 2-(4-pentanoylpiperazin-1-yl)-2-pyridin-3-ylacetonitrile?
The canonical SMILES for 2-(4-pentanoylpiperazin-1-yl)-2-pyridin-3-ylacetonitrile is CCCCC(=O)N1CCN(C(C#N)c2cccnc2)CC1.
What is the InChIKey of 2-(4-pentanoylpiperazin-1-yl)-2-pyridin-3-ylacetonitrile?
The InChIKey is QRZWCXHAYDPIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-3-6-16(21)20-10-8-19(9-11-20)15(12-17)14-5-4-7-18-13-14/h4-5,7,13,15H,2-3,6,8-11H2,1H3.
What are the key properties of 2-(4-pentanoylpiperazin-1-yl)-2-pyridin-3-ylacetonitrile?
2-(4-pentanoylpiperazin-1-yl)-2-pyridin-3-ylacetonitrile has a molecular weight of 286.38 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pentanoylpiperazin-1-yl)-2-pyridin-3-ylacetonitrile is sourced from PubChem (CID 10446714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).