2-[4-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]pyridine-4-carbonitrile

C17H23N5O2 — CID 36637880

IUPAC2-[4-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]pyridine-4-carbonitrile
SMILESC[C@H]1CN(C(=O)CN2CCN(c3cc(C#N)ccn3)CC2)CCO1
InChIInChI=1S/C17H23N5O2/c1-14-12-22(8-9-24-14)17(23)13-20-4-6-21(7-5-20)16-10-15(11-18)2-3-19-16/h2-3,10,14H,4-9,12-13H2,1H3/t14-/m0/s1
InChIKeyDNBRAOXMOGLMQA-AWEZNQCLSA-N
MW329.40 g/mol
LogP0.32
Rot. Bonds3

About 2-[4-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]pyridine-4-carbonitrile

2-[4-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]pyridine-4-carbonitrile (PubChem CID 36637880) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[4-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]pyridine-4-carbonitrile
PubChem CID36637880
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2-[4-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]pyridine-4-carbonitrile
SMILESC[C@H]1CN(C(=O)CN2CCN(c3cc(C#N)ccn3)CC2)CCO1
InChIInChI=1S/C17H23N5O2/c1-14-12-22(8-9-24-14)17(23)13-20-4-6-21(7-5-20)16-10-15(11-18)2-3-19-16/h2-3,10,14H,4-9,12-13H2,1H3/t14-/m0/s1
InChIKeyDNBRAOXMOGLMQA-AWEZNQCLSA-N
XLogP0.32
TPSA72.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]pyridine-4-carbonitrile (CID 36637880) is 2-[4-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]pyridine-4-carbonitrile is C[C@H]1CN(C(=O)CN2CCN(c3cc(C#N)ccn3)CC2)CCO1.
What is the InChIKey of 2-[4-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]pyridine-4-carbonitrile?
The InChIKey is DNBRAOXMOGLMQA-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-14-12-22(8-9-24-14)17(23)13-20-4-6-21(7-5-20)16-10-15(11-18)2-3-19-16/h2-3,10,14H,4-9,12-13H2,1H3/t14-/m0/s1.
What are the key properties of 2-[4-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]pyridine-4-carbonitrile?
2-[4-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]pyridine-4-carbonitrile has a molecular weight of 329.40 g/mol, XLogP of 0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 36637880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).