[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone

C16H25N3O — CID 82248285

IUPAC[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone
SMILESCC(C)CC1CNC(C)(C)CN1C(=O)c1cccnc1
InChIInChI=1S/C16H25N3O/c1-12(2)8-14-10-18-16(3,4)11-19(14)15(20)13-6-5-7-17-9-13/h5-7,9,12,14,18H,8,10-11H2,1-4H3
InChIKeyZNCYWQPTTORUPO-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.32
Rot. Bonds3

About [5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone

[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone (PubChem CID 82248285) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is [5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone
PubChem CID82248285
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone
SMILESCC(C)CC1CNC(C)(C)CN1C(=O)c1cccnc1
InChIInChI=1S/C16H25N3O/c1-12(2)8-14-10-18-16(3,4)11-19(14)15(20)13-6-5-7-17-9-13/h5-7,9,12,14,18H,8,10-11H2,1-4H3
InChIKeyZNCYWQPTTORUPO-UHFFFAOYSA-N
XLogP2.32
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-methylpropyl)-5-propan-2-ylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 82250597
[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 82246572
[2-(2-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 79549270
5,5-dimethyl-2-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine
CID 64838551
(5-methyl-2-propan-2-ylpiperazin-1-yl)-pyridin-3-ylmethanone
CID 82244528
(2,5-diethylpiperazin-1-yl)-pyridin-3-ylmethanone
CID 64978518
[4-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 60590538
(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 82248799
5,5-dimethyl-2-(2-methylpropyl)-1-[(3-methyl-2-pyridinyl)methyl]piperazine
CID 115982498
pyridin-3-yl-(2,2,5-trimethylpiperazin-1-yl)methanone
CID 82243127
(4,4-dimethyl-1-pyridinyl)-pyridin-3-ylmethanone
CID 14155741
N-[2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 127245086

Frequently Asked Questions

What is the IUPAC name of [5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone (CID 82248285) is [5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone is CC(C)CC1CNC(C)(C)CN1C(=O)c1cccnc1.
What is the InChIKey of [5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is ZNCYWQPTTORUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12(2)8-14-10-18-16(3,4)11-19(14)15(20)13-6-5-7-17-9-13/h5-7,9,12,14,18H,8,10-11H2,1-4H3.
What are the key properties of [5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone?
[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 275.40 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 82248285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).