2-[4-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]pyridine-4-carbonitrile

C18H25N5O2 — CID 95586051

IUPAC2-[4-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]pyridine-4-carbonitrile
SMILESCC[C@@H]1CN(C(=O)CN2CCN(c3cc(C#N)ccn3)CC2)CCO1
InChIInChI=1S/C18H25N5O2/c1-2-16-13-23(9-10-25-16)18(24)14-21-5-7-22(8-6-21)17-11-15(12-19)3-4-20-17/h3-4,11,16H,2,5-10,13-14H2,1H3/t16-/m1/s1
InChIKeyRSOQMMOOCYSXNO-MRXNPFEDSA-N
MW343.43 g/mol
LogP0.71
Rot. Bonds4

About 2-[4-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]pyridine-4-carbonitrile

2-[4-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]pyridine-4-carbonitrile (PubChem CID 95586051) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[4-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]pyridine-4-carbonitrile
PubChem CID95586051
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name2-[4-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]pyridine-4-carbonitrile
SMILESCC[C@@H]1CN(C(=O)CN2CCN(c3cc(C#N)ccn3)CC2)CCO1
InChIInChI=1S/C18H25N5O2/c1-2-16-13-23(9-10-25-16)18(24)14-21-5-7-22(8-6-21)17-11-15(12-19)3-4-20-17/h3-4,11,16H,2,5-10,13-14H2,1H3/t16-/m1/s1
InChIKeyRSOQMMOOCYSXNO-MRXNPFEDSA-N
XLogP0.71
TPSA72.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]pyridine-4-carbonitrile with MolForge

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Related Compounds

2-[4-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 36637880
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 36631485
2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetic acid
CID 43521668
2-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 36637072
2-[4-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 55540126
2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile
CID 24710920
2-[4-[2-(9-oxoacridin-10-yl)acetyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 25332203
1-(2-ethylmorpholin-4-yl)-2-piperazin-1-ylethanone
CID 43563037
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 172899467
2-[4-[2-(2-methylphenyl)sulfanylacetyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 38261707
2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide
CID 36632423
2-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 166234338

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]pyridine-4-carbonitrile (CID 95586051) is 2-[4-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]pyridine-4-carbonitrile is CC[C@@H]1CN(C(=O)CN2CCN(c3cc(C#N)ccn3)CC2)CCO1.
What is the InChIKey of 2-[4-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]pyridine-4-carbonitrile?
The InChIKey is RSOQMMOOCYSXNO-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-2-16-13-23(9-10-25-16)18(24)14-21-5-7-22(8-6-21)17-11-15(12-19)3-4-20-17/h3-4,11,16H,2,5-10,13-14H2,1H3/t16-/m1/s1.
What are the key properties of 2-[4-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]pyridine-4-carbonitrile?
2-[4-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]pyridine-4-carbonitrile has a molecular weight of 343.43 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 95586051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).