[2-(2-methylpropyl)-5-propan-2-ylpiperazin-1-yl]-pyridin-3-ylmethanone

C17H27N3O — CID 82250597

IUPAC[2-(2-methylpropyl)-5-propan-2-ylpiperazin-1-yl]-pyridin-3-ylmethanone
SMILESCC(C)CC1CNC(C(C)C)CN1C(=O)c1cccnc1
InChIInChI=1S/C17H27N3O/c1-12(2)8-15-10-19-16(13(3)4)11-20(15)17(21)14-6-5-7-18-9-14/h5-7,9,12-13,15-16,19H,8,10-11H2,1-4H3
InChIKeyFPOMILHHOAJIFP-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.57
Rot. Bonds4

About [2-(2-methylpropyl)-5-propan-2-ylpiperazin-1-yl]-pyridin-3-ylmethanone

[2-(2-methylpropyl)-5-propan-2-ylpiperazin-1-yl]-pyridin-3-ylmethanone (PubChem CID 82250597) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is [2-(2-methylpropyl)-5-propan-2-ylpiperazin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[2-(2-methylpropyl)-5-propan-2-ylpiperazin-1-yl]-pyridin-3-ylmethanone
PubChem CID82250597
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name[2-(2-methylpropyl)-5-propan-2-ylpiperazin-1-yl]-pyridin-3-ylmethanone
SMILESCC(C)CC1CNC(C(C)C)CN1C(=O)c1cccnc1
InChIInChI=1S/C17H27N3O/c1-12(2)8-15-10-19-16(13(3)4)11-20(15)17(21)14-6-5-7-18-9-14/h5-7,9,12-13,15-16,19H,8,10-11H2,1-4H3
InChIKeyFPOMILHHOAJIFP-UHFFFAOYSA-N
XLogP2.57
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 82246572
[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 82248285
(2,5-diethylpiperazin-1-yl)-pyridin-3-ylmethanone
CID 64978518
(5-methyl-2-propan-2-ylpiperazin-1-yl)-pyridin-3-ylmethanone
CID 82244528
2,2,2-trifluoro-1-[2-(2-methylpropyl)-5-propan-2-ylpiperazin-1-yl]ethanone
CID 82249015
[2-(2-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 79549270
2-ethyl-5-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine
CID 64831744
2,5-di(propan-2-yl)-1-(2-pyridin-3-ylethyl)piperazine
CID 64937734
(2,5-dimethylmorpholin-4-yl)-pyridin-3-ylmethanone
CID 110727642
[4-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 60590538
2,5-di(propan-2-yl)-1-pyridin-3-ylpiperazine
CID 64952663
ethane;2-methyl-1-[3-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 163264781

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropyl)-5-propan-2-ylpiperazin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [2-(2-methylpropyl)-5-propan-2-ylpiperazin-1-yl]-pyridin-3-ylmethanone (CID 82250597) is [2-(2-methylpropyl)-5-propan-2-ylpiperazin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [2-(2-methylpropyl)-5-propan-2-ylpiperazin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [2-(2-methylpropyl)-5-propan-2-ylpiperazin-1-yl]-pyridin-3-ylmethanone is CC(C)CC1CNC(C(C)C)CN1C(=O)c1cccnc1.
What is the InChIKey of [2-(2-methylpropyl)-5-propan-2-ylpiperazin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is FPOMILHHOAJIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12(2)8-15-10-19-16(13(3)4)11-20(15)17(21)14-6-5-7-18-9-14/h5-7,9,12-13,15-16,19H,8,10-11H2,1-4H3.
What are the key properties of [2-(2-methylpropyl)-5-propan-2-ylpiperazin-1-yl]-pyridin-3-ylmethanone?
[2-(2-methylpropyl)-5-propan-2-ylpiperazin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 289.42 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropyl)-5-propan-2-ylpiperazin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 82250597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).