2-(3,5-dimethylpiperazin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone

C14H27N3O — CID 63873492

IUPAC2-(3,5-dimethylpiperazin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CN(CC(=O)N2CCCCC2C)CC(C)N1
InChIInChI=1S/C14H27N3O/c1-11-8-16(9-12(2)15-11)10-14(18)17-7-5-4-6-13(17)3/h11-13,15H,4-10H2,1-3H3
InChIKeyGZAUOSGZJXLVQT-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.07
Rot. Bonds2

About 2-(3,5-dimethylpiperazin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone

2-(3,5-dimethylpiperazin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 63873492) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperazin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylpiperazin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID63873492
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-(3,5-dimethylpiperazin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CN(CC(=O)N2CCCCC2C)CC(C)N1
InChIInChI=1S/C14H27N3O/c1-11-8-16(9-12(2)15-11)10-14(18)17-7-5-4-6-13(17)3/h11-13,15H,4-10H2,1-3H3
InChIKeyGZAUOSGZJXLVQT-UHFFFAOYSA-N
XLogP1.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 79410340
2-(3,5-dimethylpiperazin-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 63872741
1-(2-methylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethanone
CID 127272562
2-(4-aminopiperidin-1-yl)-1-(2-methylazepan-1-yl)ethanone
CID 79328192
2-[4-(2-chloroprop-2-enyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 134001219
1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-3-carbaldehyde
CID 62654368
(3S,4S)-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120953860
2-[4-(aminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119909747
N-methyl-1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 42542254
ethyl 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetate
CID 134055468
2-(4-amino-3-ethylpiperidin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 81458745
1-(2-methylpiperidin-1-yl)-2-sulfanylethanone
CID 60650037

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperazin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(3,5-dimethylpiperazin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone (CID 63873492) is 2-(3,5-dimethylpiperazin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(3,5-dimethylpiperazin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(3,5-dimethylpiperazin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone is CC1CN(CC(=O)N2CCCCC2C)CC(C)N1.
What is the InChIKey of 2-(3,5-dimethylpiperazin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is GZAUOSGZJXLVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-11-8-16(9-12(2)15-11)10-14(18)17-7-5-4-6-13(17)3/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 2-(3,5-dimethylpiperazin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone?
2-(3,5-dimethylpiperazin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 253.39 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperazin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 63873492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).