1-[3-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one

C17H31N3O2 — CID 47984373

IUPAC1-[3-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCCN1CCN(C(=O)C2CCCN(C(=O)C(C)(C)C)C2)CC1
InChIInChI=1S/C17H31N3O2/c1-5-18-9-11-19(12-10-18)15(21)14-7-6-8-20(13-14)16(22)17(2,3)4/h14H,5-13H2,1-4H3
InChIKeyPJXSQIUJQMLEEX-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.44
Rot. Bonds2

About 1-[3-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[3-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 47984373) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-[3-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[3-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID47984373
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name1-[3-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCCN1CCN(C(=O)C2CCCN(C(=O)C(C)(C)C)C2)CC1
InChIInChI=1S/C17H31N3O2/c1-5-18-9-11-19(12-10-18)15(21)14-7-6-8-20(13-14)16(22)17(2,3)4/h14H,5-13H2,1-4H3
InChIKeyPJXSQIUJQMLEEX-UHFFFAOYSA-N
XLogP1.44
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 94857668
(3S)-1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119137245
1-[3-(3-aminopiperidine-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 119381930
1-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 119413592
2,2-dimethyl-1-[3-[4-(methylaminomethyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one;hydrochloride
CID 119547113
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110797693
methyl (3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxylate
CID 78919329
1-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 119639555
1-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 47988393
2,2-dimethyl-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 47985802
2,2-dimethyl-1-[4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 55376220
1-(2,2-dimethylpropanoyl)-N-propylpiperidine-3-carboxamide
CID 47986666

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[3-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 47984373) is 1-[3-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[3-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[3-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one is CCN1CCN(C(=O)C2CCCN(C(=O)C(C)(C)C)C2)CC1.
What is the InChIKey of 1-[3-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is PJXSQIUJQMLEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-5-18-9-11-19(12-10-18)15(21)14-7-6-8-20(13-14)16(22)17(2,3)4/h14H,5-13H2,1-4H3.
What are the key properties of 1-[3-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[3-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 309.45 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 47984373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).