1-methyl-4-(2-methyl-1,2,3,4-tetrahydroquinoline-4-carbonyl)piperazin-2-one

C16H21N3O2 — CID 64695499

IUPAC1-methyl-4-(2-methyl-1,2,3,4-tetrahydroquinoline-4-carbonyl)piperazin-2-one
SMILESCC1CC(C(=O)N2CCN(C)C(=O)C2)c2ccccc2N1
InChIInChI=1S/C16H21N3O2/c1-11-9-13(12-5-3-4-6-14(12)17-11)16(21)19-8-7-18(2)15(20)10-19/h3-6,11,13,17H,7-10H2,1-2H3
InChIKeyVWLAMPWZJZUCRP-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.27
Rot. Bonds1

About 1-methyl-4-(2-methyl-1,2,3,4-tetrahydroquinoline-4-carbonyl)piperazin-2-one

1-methyl-4-(2-methyl-1,2,3,4-tetrahydroquinoline-4-carbonyl)piperazin-2-one (PubChem CID 64695499) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-methyl-4-(2-methyl-1,2,3,4-tetrahydroquinoline-4-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-(2-methyl-1,2,3,4-tetrahydroquinoline-4-carbonyl)piperazin-2-one
PubChem CID64695499
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-methyl-4-(2-methyl-1,2,3,4-tetrahydroquinoline-4-carbonyl)piperazin-2-one
SMILESCC1CC(C(=O)N2CCN(C)C(=O)C2)c2ccccc2N1
InChIInChI=1S/C16H21N3O2/c1-11-9-13(12-5-3-4-6-14(12)17-11)16(21)19-8-7-18(2)15(20)10-19/h3-6,11,13,17H,7-10H2,1-2H3
InChIKeyVWLAMPWZJZUCRP-UHFFFAOYSA-N
XLogP1.27
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methyl-1,2,3,4-tetrahydroquinoline-4-carbonyl)piperazin-2-one?
The IUPAC name of 1-methyl-4-(2-methyl-1,2,3,4-tetrahydroquinoline-4-carbonyl)piperazin-2-one (CID 64695499) is 1-methyl-4-(2-methyl-1,2,3,4-tetrahydroquinoline-4-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-methyl-4-(2-methyl-1,2,3,4-tetrahydroquinoline-4-carbonyl)piperazin-2-one?
The canonical SMILES for 1-methyl-4-(2-methyl-1,2,3,4-tetrahydroquinoline-4-carbonyl)piperazin-2-one is CC1CC(C(=O)N2CCN(C)C(=O)C2)c2ccccc2N1.
What is the InChIKey of 1-methyl-4-(2-methyl-1,2,3,4-tetrahydroquinoline-4-carbonyl)piperazin-2-one?
The InChIKey is VWLAMPWZJZUCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-9-13(12-5-3-4-6-14(12)17-11)16(21)19-8-7-18(2)15(20)10-19/h3-6,11,13,17H,7-10H2,1-2H3.
What are the key properties of 1-methyl-4-(2-methyl-1,2,3,4-tetrahydroquinoline-4-carbonyl)piperazin-2-one?
1-methyl-4-(2-methyl-1,2,3,4-tetrahydroquinoline-4-carbonyl)piperazin-2-one has a molecular weight of 287.36 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methyl-1,2,3,4-tetrahydroquinoline-4-carbonyl)piperazin-2-one is sourced from PubChem (CID 64695499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).