6-methoxy-4-[4-(piperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile

C22H26N4O2 — CID 53002458

IUPAC6-methoxy-4-[4-(piperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile
SMILESCOc1ccc2ncc(C#N)c(N3CCC(C(=O)N4CCCCC4)CC3)c2c1
InChIInChI=1S/C22H26N4O2/c1-28-18-5-6-20-19(13-18)21(17(14-23)15-24-20)25-11-7-16(8-12-25)22(27)26-9-3-2-4-10-26/h5-6,13,15-16H,2-4,7-12H2,1H3
InChIKeyZVZPQCGRCKNDNY-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.34
Rot. Bonds3

About 6-methoxy-4-[4-(piperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile

6-methoxy-4-[4-(piperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile (PubChem CID 53002458) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 6-methoxy-4-[4-(piperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-methoxy-4-[4-(piperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile
PubChem CID53002458
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name6-methoxy-4-[4-(piperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile
SMILESCOc1ccc2ncc(C#N)c(N3CCC(C(=O)N4CCCCC4)CC3)c2c1
InChIInChI=1S/C22H26N4O2/c1-28-18-5-6-20-19(13-18)21(17(14-23)15-24-20)25-11-7-16(8-12-25)22(27)26-9-3-2-4-10-26/h5-6,13,15-16H,2-4,7-12H2,1H3
InChIKeyZVZPQCGRCKNDNY-UHFFFAOYSA-N
XLogP3.34
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-[4-(piperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile?
The IUPAC name of 6-methoxy-4-[4-(piperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile (CID 53002458) is 6-methoxy-4-[4-(piperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile.
What is the SMILES notation for 6-methoxy-4-[4-(piperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile?
The canonical SMILES for 6-methoxy-4-[4-(piperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile is COc1ccc2ncc(C#N)c(N3CCC(C(=O)N4CCCCC4)CC3)c2c1.
What is the InChIKey of 6-methoxy-4-[4-(piperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile?
The InChIKey is ZVZPQCGRCKNDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-28-18-5-6-20-19(13-18)21(17(14-23)15-24-20)25-11-7-16(8-12-25)22(27)26-9-3-2-4-10-26/h5-6,13,15-16H,2-4,7-12H2,1H3.
What are the key properties of 6-methoxy-4-[4-(piperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile?
6-methoxy-4-[4-(piperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile has a molecular weight of 378.48 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-[4-(piperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile is sourced from PubChem (CID 53002458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).