(4-methylpiperazin-1-yl)-[6-(2-methylpropyl)-2-pyridinyl]methanone

C15H23N3O — CID 178019569

IUPAC(4-methylpiperazin-1-yl)-[6-(2-methylpropyl)-2-pyridinyl]methanone
SMILESCC(C)Cc1cccc(C(=O)N2CCN(C)CC2)n1
InChIInChI=1S/C15H23N3O/c1-12(2)11-13-5-4-6-14(16-13)15(19)18-9-7-17(3)8-10-18/h4-6,12H,7-11H2,1-3H3
InChIKeyHPBFJXBEDSHMKR-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.67
Rot. Bonds3

About (4-methylpiperazin-1-yl)-[6-(2-methylpropyl)-2-pyridinyl]methanone

(4-methylpiperazin-1-yl)-[6-(2-methylpropyl)-2-pyridinyl]methanone (PubChem CID 178019569) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[6-(2-methylpropyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[6-(2-methylpropyl)-2-pyridinyl]methanone
PubChem CID178019569
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(4-methylpiperazin-1-yl)-[6-(2-methylpropyl)-2-pyridinyl]methanone
SMILESCC(C)Cc1cccc(C(=O)N2CCN(C)CC2)n1
InChIInChI=1S/C15H23N3O/c1-12(2)11-13-5-4-6-14(16-13)15(19)18-9-7-17(3)8-10-18/h4-6,12H,7-11H2,1-3H3
InChIKeyHPBFJXBEDSHMKR-UHFFFAOYSA-N
XLogP1.67
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(aminomethyl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 82506917
[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109096664
(6-chloro-2-pyridinyl)-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 62233300
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]methanone
CID 109096677
[4-[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 131914788
(4-methyl-1,4-diazepan-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
CID 62240932
[2-(3-methylbutylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302252
6-(2-hydroxypropyl)pyridine-2-carboxylic acid
CID 122637031
N-(2-methylpropyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109094386
(4-methylpiperazin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone
CID 109110976
(4-methyl-1,4-diazepan-1-yl)-(6-pyrimidin-5-yl-2-pyridinyl)methanone
CID 110131426
6-(4-formylpiperazine-1-carbonyl)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109094399

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[6-(2-methylpropyl)-2-pyridinyl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[6-(2-methylpropyl)-2-pyridinyl]methanone (CID 178019569) is (4-methylpiperazin-1-yl)-[6-(2-methylpropyl)-2-pyridinyl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[6-(2-methylpropyl)-2-pyridinyl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[6-(2-methylpropyl)-2-pyridinyl]methanone is CC(C)Cc1cccc(C(=O)N2CCN(C)CC2)n1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[6-(2-methylpropyl)-2-pyridinyl]methanone?
The InChIKey is HPBFJXBEDSHMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12(2)11-13-5-4-6-14(16-13)15(19)18-9-7-17(3)8-10-18/h4-6,12H,7-11H2,1-3H3.
What are the key properties of (4-methylpiperazin-1-yl)-[6-(2-methylpropyl)-2-pyridinyl]methanone?
(4-methylpiperazin-1-yl)-[6-(2-methylpropyl)-2-pyridinyl]methanone has a molecular weight of 261.37 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[6-(2-methylpropyl)-2-pyridinyl]methanone is sourced from PubChem (CID 178019569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).