2-(2,2-dimethyl-3-oxopiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C16H20N4O — CID 63607448

IUPAC2-(2,2-dimethyl-3-oxopiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCC1(C)C(=O)NCCN1c1nc2c(cc1C#N)CCCC2
InChIInChI=1S/C16H20N4O/c1-16(2)15(21)18-7-8-20(16)14-12(10-17)9-11-5-3-4-6-13(11)19-14/h9H,3-8H2,1-2H3,(H,18,21)
InChIKeyCBTQTLSEKQWXMO-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.55
Rot. Bonds1

About 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-(2,2-dimethyl-3-oxopiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 63607448) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(2,2-dimethyl-3-oxopiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID63607448
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-(2,2-dimethyl-3-oxopiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCC1(C)C(=O)NCCN1c1nc2c(cc1C#N)CCCC2
InChIInChI=1S/C16H20N4O/c1-16(2)15(21)18-7-8-20(16)14-12(10-17)9-11-5-3-4-6-13(11)19-14/h9H,3-8H2,1-2H3,(H,18,21)
InChIKeyCBTQTLSEKQWXMO-UHFFFAOYSA-N
XLogP1.55
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,2-dimethylpyrrolidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 55162712
2-(2,2-dimethyl-3-oxopiperazin-1-yl)pyridine-3-carbonitrile
CID 55217288
2-(2-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 55104257
2-(4-methyl-3-oxopiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 64681398
2-(4,4-dimethylazepan-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 65280859
2-(2-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 172891354
2-(1,3-dihydroisoindol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 62232170
2-(2,2-dimethyl-3-oxopiperazin-1-yl)-6-methylpyridine-4-carbonitrile
CID 114766284
2-(3-methylpyrazol-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 62487091
2-[3-[4-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 126945890
2-chloro-4-(2,2-dimethyl-3-oxopiperazin-1-yl)benzonitrile
CID 63607098
2-(4-methyl-3-oxo-1,4-diazepan-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 102846633

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 63607448) is 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is CC1(C)C(=O)NCCN1c1nc2c(cc1C#N)CCCC2.
What is the InChIKey of 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is CBTQTLSEKQWXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-16(2)15(21)18-7-8-20(16)14-12(10-17)9-11-5-3-4-6-13(11)19-14/h9H,3-8H2,1-2H3,(H,18,21).
What are the key properties of 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-(2,2-dimethyl-3-oxopiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 284.36 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 63607448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).