5-[4-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-1-yl]pyridine-2-carbonitrile

C17H23N5O — CID 97055762

IUPAC5-[4-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-1-yl]pyridine-2-carbonitrile
SMILESC[C@@H](C(=O)N1CCCC1)N1CCN(c2ccc(C#N)nc2)CC1
InChIInChI=1S/C17H23N5O/c1-14(17(23)22-6-2-3-7-22)20-8-10-21(11-9-20)16-5-4-15(12-18)19-13-16/h4-5,13-14H,2-3,6-11H2,1H3/t14-/m0/s1
InChIKeyOXMCABHVASQGNN-AWEZNQCLSA-N
MW313.40 g/mol
LogP1.09
Rot. Bonds3

About 5-[4-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-1-yl]pyridine-2-carbonitrile

5-[4-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-1-yl]pyridine-2-carbonitrile (PubChem CID 97055762) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 5-[4-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-1-yl]pyridine-2-carbonitrile
PubChem CID97055762
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name5-[4-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-1-yl]pyridine-2-carbonitrile
SMILESC[C@@H](C(=O)N1CCCC1)N1CCN(c2ccc(C#N)nc2)CC1
InChIInChI=1S/C17H23N5O/c1-14(17(23)22-6-2-3-7-22)20-8-10-21(11-9-20)16-5-4-15(12-18)19-13-16/h4-5,13-14H,2-3,6-11H2,1H3/t14-/m0/s1
InChIKeyOXMCABHVASQGNN-AWEZNQCLSA-N
XLogP1.09
TPSA63.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[4-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-1-yl]pyridine-2-carbonitrile (CID 97055762) is 5-[4-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[4-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[4-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-1-yl]pyridine-2-carbonitrile is C[C@@H](C(=O)N1CCCC1)N1CCN(c2ccc(C#N)nc2)CC1.
What is the InChIKey of 5-[4-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-1-yl]pyridine-2-carbonitrile?
The InChIKey is OXMCABHVASQGNN-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N5O/c1-14(17(23)22-6-2-3-7-22)20-8-10-21(11-9-20)16-5-4-15(12-18)19-13-16/h4-5,13-14H,2-3,6-11H2,1H3/t14-/m0/s1.
What are the key properties of 5-[4-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-1-yl]pyridine-2-carbonitrile?
5-[4-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-1-yl]pyridine-2-carbonitrile has a molecular weight of 313.40 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 97055762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).