[(2R)-2-methylpiperazin-1-yl]-quinolin-6-ylmethanone

C15H17N3O — CID 82705265

IUPAC[(2R)-2-methylpiperazin-1-yl]-quinolin-6-ylmethanone
SMILESC[C@@H]1CNCCN1C(=O)c1ccc2ncccc2c1
InChIInChI=1S/C15H17N3O/c1-11-10-16-7-8-18(11)15(19)13-4-5-14-12(9-13)3-2-6-17-14/h2-6,9,11,16H,7-8,10H2,1H3/t11-/m1/s1
InChIKeySSUGAIKDRIMUBI-LLVKDONJSA-N
MW255.32 g/mol
LogP1.67
Rot. Bonds1

About [(2R)-2-methylpiperazin-1-yl]-quinolin-6-ylmethanone

[(2R)-2-methylpiperazin-1-yl]-quinolin-6-ylmethanone (PubChem CID 82705265) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is [(2R)-2-methylpiperazin-1-yl]-quinolin-6-ylmethanone.

Molecular Properties

Compound Name[(2R)-2-methylpiperazin-1-yl]-quinolin-6-ylmethanone
PubChem CID82705265
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name[(2R)-2-methylpiperazin-1-yl]-quinolin-6-ylmethanone
SMILESC[C@@H]1CNCCN1C(=O)c1ccc2ncccc2c1
InChIInChI=1S/C15H17N3O/c1-11-10-16-7-8-18(11)15(19)13-4-5-14-12(9-13)3-2-6-17-14/h2-6,9,11,16H,7-8,10H2,1H3/t11-/m1/s1
InChIKeySSUGAIKDRIMUBI-LLVKDONJSA-N
XLogP1.67
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(quinoline-6-carbonyl)piperazine-2-carbonitrile
CID 79086471
(2S)-2-methyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide
CID 128810991
(3-fluorophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672072
(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-quinolin-6-ylmethanone
CID 66208799
sodium 3-[(2R)-2-methylpiperazine-1-carbonyl]benzoate
CID 126837861
(3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone;hydrochloride
CID 68757495
(3-methoxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 51000391
1,4-diazabicyclo[3.2.2]nonan-4-yl(quinolin-6-yl)methanone
CID 127041508
(4-iodophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62671877
(4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705562
(4-fluoro-3-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82756256
[4-(dimethylamino)phenyl]-(2-methylpiperazin-1-yl)methanone
CID 50999638

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-methylpiperazin-1-yl]-quinolin-6-ylmethanone?
The IUPAC name of [(2R)-2-methylpiperazin-1-yl]-quinolin-6-ylmethanone (CID 82705265) is [(2R)-2-methylpiperazin-1-yl]-quinolin-6-ylmethanone.
What is the SMILES notation for [(2R)-2-methylpiperazin-1-yl]-quinolin-6-ylmethanone?
The canonical SMILES for [(2R)-2-methylpiperazin-1-yl]-quinolin-6-ylmethanone is C[C@@H]1CNCCN1C(=O)c1ccc2ncccc2c1.
What is the InChIKey of [(2R)-2-methylpiperazin-1-yl]-quinolin-6-ylmethanone?
The InChIKey is SSUGAIKDRIMUBI-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11-10-16-7-8-18(11)15(19)13-4-5-14-12(9-13)3-2-6-17-14/h2-6,9,11,16H,7-8,10H2,1H3/t11-/m1/s1.
What are the key properties of [(2R)-2-methylpiperazin-1-yl]-quinolin-6-ylmethanone?
[(2R)-2-methylpiperazin-1-yl]-quinolin-6-ylmethanone has a molecular weight of 255.32 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-methylpiperazin-1-yl]-quinolin-6-ylmethanone is sourced from PubChem (CID 82705265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).