[(3R)-4-benzyl-3-methylpiperazin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone

C19H24N4O — CID 170939364

IUPAC[(3R)-4-benzyl-3-methylpiperazin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
SMILESCNc1ncccc1C(=O)N1CCN(Cc2ccccc2)[C@H](C)C1
InChIInChI=1S/C19H24N4O/c1-15-13-23(19(24)17-9-6-10-21-18(17)20-2)12-11-22(15)14-16-7-4-3-5-8-16/h3-10,15H,11-14H2,1-2H3,(H,20,21)/t15-/m1/s1
InChIKeyVUAOQMCQPXEONA-OAHLLOKOSA-N
MW324.43 g/mol
LogP2.47
Rot. Bonds4

About [(3R)-4-benzyl-3-methylpiperazin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone

[(3R)-4-benzyl-3-methylpiperazin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone (PubChem CID 170939364) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is [(3R)-4-benzyl-3-methylpiperazin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[(3R)-4-benzyl-3-methylpiperazin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
PubChem CID170939364
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name[(3R)-4-benzyl-3-methylpiperazin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
SMILESCNc1ncccc1C(=O)N1CCN(Cc2ccccc2)[C@H](C)C1
InChIInChI=1S/C19H24N4O/c1-15-13-23(19(24)17-9-6-10-21-18(17)20-2)12-11-22(15)14-16-7-4-3-5-8-16/h3-10,15H,11-14H2,1-2H3,(H,20,21)/t15-/m1/s1
InChIKeyVUAOQMCQPXEONA-OAHLLOKOSA-N
XLogP2.47
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzyl-3-methylpiperazin-1-yl)-[2-(3-methylbutylamino)-3-pyridinyl]methanone
CID 167138007
(4-benzyl-3-methylpiperazin-1-yl)-phenylmethanone
CID 10803751
(4-benzylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone
CID 84575153
(3,5-dimethylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone
CID 62166241
[2-(methylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 62172050
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(methylamino)-3-pyridinyl]methanone
CID 79945624
(2-ethylmorpholin-4-yl)-[2-(methylamino)-3-pyridinyl]methanone
CID 62170253
4-benzyl-N-tert-butyl-3-methylpiperazine-1-carboxamide
CID 70933120
[4-(hydroxymethyl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 62185539
(4-benzyl-3-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 110657781
(4-benzyl-3-methylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110657793
1-methyl-4-[2-(methylamino)pyridine-3-carbonyl]piperazin-2-one
CID 29149627

Frequently Asked Questions

What is the IUPAC name of [(3R)-4-benzyl-3-methylpiperazin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone?
The IUPAC name of [(3R)-4-benzyl-3-methylpiperazin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone (CID 170939364) is [(3R)-4-benzyl-3-methylpiperazin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone.
What is the SMILES notation for [(3R)-4-benzyl-3-methylpiperazin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone?
The canonical SMILES for [(3R)-4-benzyl-3-methylpiperazin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone is CNc1ncccc1C(=O)N1CCN(Cc2ccccc2)[C@H](C)C1.
What is the InChIKey of [(3R)-4-benzyl-3-methylpiperazin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone?
The InChIKey is VUAOQMCQPXEONA-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N4O/c1-15-13-23(19(24)17-9-6-10-21-18(17)20-2)12-11-22(15)14-16-7-4-3-5-8-16/h3-10,15H,11-14H2,1-2H3,(H,20,21)/t15-/m1/s1.
What are the key properties of [(3R)-4-benzyl-3-methylpiperazin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone?
[(3R)-4-benzyl-3-methylpiperazin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone has a molecular weight of 324.43 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4-benzyl-3-methylpiperazin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 170939364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).