4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile

C20H22N4O2 — CID 53002415

IUPAC4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C20H22N4O2/c21-13-16-14-22-18-4-2-1-3-17(18)19(16)23-7-5-15(6-8-23)20(25)24-9-11-26-12-10-24/h1-4,14-15H,5-12H2
InChIKeyHNZBPAIASWPHPB-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.18
Rot. Bonds2

About 4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile

4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile (PubChem CID 53002415) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile
PubChem CID53002415
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C20H22N4O2/c21-13-16-14-22-18-4-2-1-3-17(18)19(16)23-7-5-15(6-8-23)20(25)24-9-11-26-12-10-24/h1-4,14-15H,5-12H2
InChIKeyHNZBPAIASWPHPB-UHFFFAOYSA-N
XLogP2.18
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile?
The IUPAC name of 4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile (CID 53002415) is 4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile.
What is the SMILES notation for 4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile?
The canonical SMILES for 4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile is N#Cc1cnc2ccccc2c1N1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of 4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile?
The InChIKey is HNZBPAIASWPHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c21-13-16-14-22-18-4-2-1-3-17(18)19(16)23-7-5-15(6-8-23)20(25)24-9-11-26-12-10-24/h1-4,14-15H,5-12H2.
What are the key properties of 4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile?
4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile has a molecular weight of 350.42 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(morpholine-4-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile is sourced from PubChem (CID 53002415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).