4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile

C32H32N6O3 — CID 164830118

IUPAC4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile
SMILESN#Cc1ccc(COc2ccc3nc(C(=O)N4CCC(n5cccn5)CC4)cc(C(=O)N4CCCCC4)c3c2)cc1
InChIInChI=1S/C32H32N6O3/c33-21-23-5-7-24(8-6-23)22-41-26-9-10-29-27(19-26)28(31(39)36-14-2-1-3-15-36)20-30(35-29)32(40)37-17-11-25(12-18-37)38-16-4-13-34-38/h4-10,13,16,19-20,25H,1-3,11-12,14-15,17-18,22H2
InChIKeyZPUWXNFQESSGBZ-UHFFFAOYSA-N
MW548.65 g/mol
LogP4.99
Rot. Bonds6

About 4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile

4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile (PubChem CID 164830118) has the molecular formula C32H32N6O3 and a molecular weight of 548.65 g/mol. Its IUPAC name is 4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile.

Molecular Properties

Compound Name4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile
PubChem CID164830118
Molecular FormulaC32H32N6O3
Molecular Weight548.65 g/mol
Exact Mass548.25
IUPAC Name4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile
SMILESN#Cc1ccc(COc2ccc3nc(C(=O)N4CCC(n5cccn5)CC4)cc(C(=O)N4CCCCC4)c3c2)cc1
InChIInChI=1S/C32H32N6O3/c33-21-23-5-7-24(8-6-23)22-41-26-9-10-29-27(19-26)28(31(39)36-14-2-1-3-15-36)20-30(35-29)32(40)37-17-11-25(12-18-37)38-16-4-13-34-38/h4-10,13,16,19-20,25H,1-3,11-12,14-15,17-18,22H2
InChIKeyZPUWXNFQESSGBZ-UHFFFAOYSA-N
XLogP4.99
TPSA104.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.65
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile with MolForge

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Related Compounds

CID 56967945
CID 56967945
CID 91937948
CID 91937948
CID 170539743
CID 170539743
CID 170539782
CID 170539782
CID 168278442
CID 168278442
CID 118171191
CID 118171191
CID 170539748
CID 170539748
CID 53249078
CID 53249078
CID 53306449
CID 53306449
CID 53306450
CID 53306450
CID 165399975
CID 165399975
CID 121363722
CID 121363722

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile?
The IUPAC name of 4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile (CID 164830118) is 4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile.
What is the SMILES notation for 4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile?
The canonical SMILES for 4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile is N#Cc1ccc(COc2ccc3nc(C(=O)N4CCC(n5cccn5)CC4)cc(C(=O)N4CCCCC4)c3c2)cc1.
What is the InChIKey of 4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile?
The InChIKey is ZPUWXNFQESSGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N6O3/c33-21-23-5-7-24(8-6-23)22-41-26-9-10-29-27(19-26)28(31(39)36-14-2-1-3-15-36)20-30(35-29)32(40)37-17-11-25(12-18-37)38-16-4-13-34-38/h4-10,13,16,19-20,25H,1-3,11-12,14-15,17-18,22H2.
What are the key properties of 4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile?
4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile has a molecular weight of 548.65 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(piperidine-1-carbonyl)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile is sourced from PubChem (CID 164830118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).