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

C21H24N4O2 — CID 172901791

IUPAC2-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]quinoline-4-carbonitrile
SMILESN#Cc1cc(N2CCC(CC(=O)N3CCOCC3)CC2)nc2ccccc12
InChIInChI=1S/C21H24N4O2/c22-15-17-14-20(23-19-4-2-1-3-18(17)19)24-7-5-16(6-8-24)13-21(26)25-9-11-27-12-10-25/h1-4,14,16H,5-13H2
InChIKeyZGVUEUZDCQACOM-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.57
Rot. Bonds3

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

2-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]quinoline-4-carbonitrile (PubChem CID 172901791) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]quinoline-4-carbonitrile
PubChem CID172901791
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]quinoline-4-carbonitrile
SMILESN#Cc1cc(N2CCC(CC(=O)N3CCOCC3)CC2)nc2ccccc12
InChIInChI=1S/C21H24N4O2/c22-15-17-14-20(23-19-4-2-1-3-18(17)19)24-7-5-16(6-8-24)13-21(26)25-9-11-27-12-10-25/h1-4,14,16H,5-13H2
InChIKeyZGVUEUZDCQACOM-UHFFFAOYSA-N
XLogP2.57
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-cyanoquinolin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165432276
2-(4-aminopiperidin-1-yl)quinoline-4-carbonitrile
CID 63884859
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 172899467
2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]quinoline-4-carbonitrile
CID 146074701
1-morpholin-4-yl-2-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 175648113
2-[1-(6-chloroquinolin-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172902586
2-(3-formylpiperidin-1-yl)quinoline-4-carbonitrile
CID 63883511
2-(2-formylpiperidin-1-yl)quinoline-4-carbonitrile
CID 63886612
3,5-difluoro-4-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]benzonitrile
CID 51101987
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carbonitrile
CID 66371449
1-pyrrolidin-1-yl-2-(1-quinoxalin-2-ylpiperidin-4-yl)ethanone
CID 56815426
2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]quinoline-4-carbonitrile
CID 127485716

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]quinoline-4-carbonitrile?
The IUPAC name of 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]quinoline-4-carbonitrile (CID 172901791) is 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]quinoline-4-carbonitrile.
What is the SMILES notation for 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]quinoline-4-carbonitrile?
The canonical SMILES for 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]quinoline-4-carbonitrile is N#Cc1cc(N2CCC(CC(=O)N3CCOCC3)CC2)nc2ccccc12.
What is the InChIKey of 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]quinoline-4-carbonitrile?
The InChIKey is ZGVUEUZDCQACOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c22-15-17-14-20(23-19-4-2-1-3-18(17)19)24-7-5-16(6-8-24)13-21(26)25-9-11-27-12-10-25/h1-4,14,16H,5-13H2.
What are the key properties of 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]quinoline-4-carbonitrile?
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]quinoline-4-carbonitrile has a molecular weight of 364.45 g/mol, XLogP of 2.57, 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]quinoline-4-carbonitrile is sourced from PubChem (CID 172901791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).