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

C17H22N4O2 — CID 172899467

IUPAC2-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCC(CC(=O)N3CCOCC3)CC2)c1
InChIInChI=1S/C17H22N4O2/c18-13-15-1-4-19-16(11-15)20-5-2-14(3-6-20)12-17(22)21-7-9-23-10-8-21/h1,4,11,14H,2-3,5-10,12H2
InChIKeyRJQLXPCYVWSJSV-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.42
Rot. Bonds3

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

2-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]pyridine-4-carbonitrile (PubChem CID 172899467) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]pyridine-4-carbonitrile
PubChem CID172899467
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCC(CC(=O)N3CCOCC3)CC2)c1
InChIInChI=1S/C17H22N4O2/c18-13-15-1-4-19-16(11-15)20-5-2-14(3-6-20)12-17(22)21-7-9-23-10-8-21/h1,4,11,14H,2-3,5-10,12H2
InChIKeyRJQLXPCYVWSJSV-UHFFFAOYSA-N
XLogP1.42
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 36631485
1-morpholin-4-yl-2-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 175648113
3,5-difluoro-4-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]benzonitrile
CID 51101987
2-[4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-4-carbonitrile
CID 56879348
2-[4-(ethylaminomethyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 80551978
2-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172899457
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]quinoline-4-carbonitrile
CID 172901791
2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-4-carbonitrile
CID 54986436
2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile
CID 24710920
2-(1,3-oxazolidin-3-yl)pyridine-4-carbonitrile
CID 151111745
2-[4-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 36637880
2-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172899893

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]pyridine-4-carbonitrile (CID 172899467) is 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]pyridine-4-carbonitrile is N#Cc1ccnc(N2CCC(CC(=O)N3CCOCC3)CC2)c1.
What is the InChIKey of 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]pyridine-4-carbonitrile?
The InChIKey is RJQLXPCYVWSJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c18-13-15-1-4-19-16(11-15)20-5-2-14(3-6-20)12-17(22)21-7-9-23-10-8-21/h1,4,11,14H,2-3,5-10,12H2.
What are the key properties of 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]pyridine-4-carbonitrile?
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]pyridine-4-carbonitrile has a molecular weight of 314.39 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 172899467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).