[6-(2,2-dimethylpropyl)-3-pyridinyl]-piperazin-1-ylmethanone

C15H23N3O — CID 58674992

IUPAC[6-(2,2-dimethylpropyl)-3-pyridinyl]-piperazin-1-ylmethanone
SMILESCC(C)(C)Cc1ccc(C(=O)N2CCNCC2)cn1
InChIInChI=1S/C15H23N3O/c1-15(2,3)10-13-5-4-12(11-17-13)14(19)18-8-6-16-7-9-18/h4-5,11,16H,6-10H2,1-3H3
InChIKeyHLMWEQZHHVWMQN-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.72
Rot. Bonds2

About [6-(2,2-dimethylpropyl)-3-pyridinyl]-piperazin-1-ylmethanone

[6-(2,2-dimethylpropyl)-3-pyridinyl]-piperazin-1-ylmethanone (PubChem CID 58674992) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is [6-(2,2-dimethylpropyl)-3-pyridinyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[6-(2,2-dimethylpropyl)-3-pyridinyl]-piperazin-1-ylmethanone
PubChem CID58674992
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name[6-(2,2-dimethylpropyl)-3-pyridinyl]-piperazin-1-ylmethanone
SMILESCC(C)(C)Cc1ccc(C(=O)N2CCNCC2)cn1
InChIInChI=1S/C15H23N3O/c1-15(2,3)10-13-5-4-12(11-17-13)14(19)18-8-6-16-7-9-18/h4-5,11,16H,6-10H2,1-3H3
InChIKeyHLMWEQZHHVWMQN-UHFFFAOYSA-N
XLogP1.72
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6-methyl-3-pyridinyl)-piperazin-1-ylmethanone
CID 16787061
(2-methylpyrimidin-5-yl)-piperazin-1-ylmethanone
CID 82507134
1-[4-(piperazine-1-carbonyl)phenyl]ethanone
CID 82510195
1-[4-[6-(2,2-dimethylpropyl)-3-pyridinyl]piperazin-1-yl]ethanone
CID 135157721
[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-piperazin-1-ylmethanone
CID 124695718
(1-ethylpyrazol-4-yl)-piperazin-1-ylmethanone
CID 83883921
azetidin-1-yl-(6-tert-butyl-3-pyridinyl)methanone
CID 59743869
(3,5-ditert-butyl-4-hydroxyphenyl)-piperazin-1-ylmethanone
CID 14300314
[6-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-piperazin-1-ylmethanone
CID 141316031
ethane;phenyl(piperazin-1-yl)methanone
CID 91566193
[6-(3-ethyl-4-hydroxyphenyl)-3-pyridinyl]-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 167870764
(3,4-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400113

Frequently Asked Questions

What is the IUPAC name of [6-(2,2-dimethylpropyl)-3-pyridinyl]-piperazin-1-ylmethanone?
The IUPAC name of [6-(2,2-dimethylpropyl)-3-pyridinyl]-piperazin-1-ylmethanone (CID 58674992) is [6-(2,2-dimethylpropyl)-3-pyridinyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [6-(2,2-dimethylpropyl)-3-pyridinyl]-piperazin-1-ylmethanone?
The canonical SMILES for [6-(2,2-dimethylpropyl)-3-pyridinyl]-piperazin-1-ylmethanone is CC(C)(C)Cc1ccc(C(=O)N2CCNCC2)cn1.
What is the InChIKey of [6-(2,2-dimethylpropyl)-3-pyridinyl]-piperazin-1-ylmethanone?
The InChIKey is HLMWEQZHHVWMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(2,3)10-13-5-4-12(11-17-13)14(19)18-8-6-16-7-9-18/h4-5,11,16H,6-10H2,1-3H3.
What are the key properties of [6-(2,2-dimethylpropyl)-3-pyridinyl]-piperazin-1-ylmethanone?
[6-(2,2-dimethylpropyl)-3-pyridinyl]-piperazin-1-ylmethanone has a molecular weight of 261.37 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,2-dimethylpropyl)-3-pyridinyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 58674992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).