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

C16H21N5O2 — CID 36631485

IUPAC2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCN(CC(=O)N3CCOCC3)CC2)c1
InChIInChI=1S/C16H21N5O2/c17-12-14-1-2-18-15(11-14)20-5-3-19(4-6-20)13-16(22)21-7-9-23-10-8-21/h1-2,11H,3-10,13H2
InChIKeyYRIGWLVVFJABRP-UHFFFAOYSA-N
MW315.38 g/mol
LogP-0.07
Rot. Bonds3

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

2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-4-carbonitrile (PubChem CID 36631485) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-4-carbonitrile
PubChem CID36631485
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCN(CC(=O)N3CCOCC3)CC2)c1
InChIInChI=1S/C16H21N5O2/c17-12-14-1-2-18-15(11-14)20-5-3-19(4-6-20)13-16(22)21-7-9-23-10-8-21/h1-2,11H,3-10,13H2
InChIKeyYRIGWLVVFJABRP-UHFFFAOYSA-N
XLogP-0.07
TPSA72.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 95586051
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 172899467
2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetic acid
CID 43521668
6-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 134051143
2-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 36637072
2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile
CID 24710920
2-[4-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 38263518
1-morpholin-4-yl-2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 154829686
2-[4-[2-(9-oxoacridin-10-yl)acetyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 25332203
2-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 166234338
2-[4-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 55540126

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-4-carbonitrile (CID 36631485) is 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-4-carbonitrile is N#Cc1ccnc(N2CCN(CC(=O)N3CCOCC3)CC2)c1.
What is the InChIKey of 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-4-carbonitrile?
The InChIKey is YRIGWLVVFJABRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c17-12-14-1-2-18-15(11-14)20-5-3-19(4-6-20)13-16(22)21-7-9-23-10-8-21/h1-2,11H,3-10,13H2.
What are the key properties of 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-4-carbonitrile?
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-4-carbonitrile has a molecular weight of 315.38 g/mol, XLogP of -0.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 36631485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).