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

C23H32N4O — CID 167138007

IUPAC(4-benzyl-3-methylpiperazin-1-yl)-[2-(3-methylbutylamino)-3-pyridinyl]methanone
SMILESCC(C)CCNc1ncccc1C(=O)N1CCN(Cc2ccccc2)C(C)C1
InChIInChI=1S/C23H32N4O/c1-18(2)11-13-25-22-21(10-7-12-24-22)23(28)27-15-14-26(19(3)16-27)17-20-8-5-4-6-9-20/h4-10,12,18-19H,11,13-17H2,1-3H3,(H,24,25)
InChIKeyQLCYOPRPDOXGQM-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.89
Rot. Bonds7

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

(4-benzyl-3-methylpiperazin-1-yl)-[2-(3-methylbutylamino)-3-pyridinyl]methanone (PubChem CID 167138007) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is (4-benzyl-3-methylpiperazin-1-yl)-[2-(3-methylbutylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-benzyl-3-methylpiperazin-1-yl)-[2-(3-methylbutylamino)-3-pyridinyl]methanone
PubChem CID167138007
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name(4-benzyl-3-methylpiperazin-1-yl)-[2-(3-methylbutylamino)-3-pyridinyl]methanone
SMILESCC(C)CCNc1ncccc1C(=O)N1CCN(Cc2ccccc2)C(C)C1
InChIInChI=1S/C23H32N4O/c1-18(2)11-13-25-22-21(10-7-12-24-22)23(28)27-15-14-26(19(3)16-27)17-20-8-5-4-6-9-20/h4-10,12,18-19H,11,13-17H2,1-3H3,(H,24,25)
InChIKeyQLCYOPRPDOXGQM-UHFFFAOYSA-N
XLogP3.89
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-benzyl-3-methylpiperazin-1-yl)-[2-(3-methylbutylamino)-3-pyridinyl]methanone with MolForge

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Related Compounds

[(3R)-4-benzyl-3-methylpiperazin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 170939364
(4-butylpiperazin-1-yl)-[2-(3-methylbutylamino)-3-pyridinyl]methanone
CID 174204274
(4-benzyl-3-methylpiperazin-1-yl)-phenylmethanone
CID 10803751
(4-benzyl-3-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 110657781
4-benzyl-N-tert-butyl-3-methylpiperazine-1-carboxamide
CID 70933120
(3-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone
CID 62172051
[2-(ethylamino)-3-pyridinyl]-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63605493
(2-ethylmorpholin-4-yl)-[2-(propylamino)-3-pyridinyl]methanone
CID 62170255
(4-benzyl-3-methylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110657793
(4-benzylpiperazin-1-yl)-[6-(3-methylbutylamino)-3-pyridinyl]methanone
CID 109159553
(4-benzylpiperazin-1-yl)-[2-(3-methylbutylamino)pyrimidin-4-yl]methanone
CID 109309440
(4-benzyl-3-methylpiperazin-1-yl)-cyclobutylmethanone
CID 110657856

Frequently Asked Questions

What is the IUPAC name of (4-benzyl-3-methylpiperazin-1-yl)-[2-(3-methylbutylamino)-3-pyridinyl]methanone?
The IUPAC name of (4-benzyl-3-methylpiperazin-1-yl)-[2-(3-methylbutylamino)-3-pyridinyl]methanone (CID 167138007) is (4-benzyl-3-methylpiperazin-1-yl)-[2-(3-methylbutylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (4-benzyl-3-methylpiperazin-1-yl)-[2-(3-methylbutylamino)-3-pyridinyl]methanone?
The canonical SMILES for (4-benzyl-3-methylpiperazin-1-yl)-[2-(3-methylbutylamino)-3-pyridinyl]methanone is CC(C)CCNc1ncccc1C(=O)N1CCN(Cc2ccccc2)C(C)C1.
What is the InChIKey of (4-benzyl-3-methylpiperazin-1-yl)-[2-(3-methylbutylamino)-3-pyridinyl]methanone?
The InChIKey is QLCYOPRPDOXGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-18(2)11-13-25-22-21(10-7-12-24-22)23(28)27-15-14-26(19(3)16-27)17-20-8-5-4-6-9-20/h4-10,12,18-19H,11,13-17H2,1-3H3,(H,24,25).
What are the key properties of (4-benzyl-3-methylpiperazin-1-yl)-[2-(3-methylbutylamino)-3-pyridinyl]methanone?
(4-benzyl-3-methylpiperazin-1-yl)-[2-(3-methylbutylamino)-3-pyridinyl]methanone has a molecular weight of 380.54 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-3-methylpiperazin-1-yl)-[2-(3-methylbutylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 167138007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).