cyclobutyl-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone

C17H31N3O — CID 71784715

IUPACcyclobutyl-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
SMILESCC1CN(C)CCN1CC1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C17H31N3O/c1-14-12-18(2)10-11-20(14)13-15-6-8-19(9-7-15)17(21)16-4-3-5-16/h14-16H,3-13H2,1-2H3
InChIKeyGTGXEZQNDVCEPI-UHFFFAOYSA-N
MW293.45 g/mol
LogP1.66
Rot. Bonds3

About cyclobutyl-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone

cyclobutyl-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 71784715) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is cyclobutyl-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID71784715
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Namecyclobutyl-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
SMILESCC1CN(C)CCN1CC1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C17H31N3O/c1-14-12-18(2)10-11-20(14)13-15-6-8-19(9-7-15)17(21)16-4-3-5-16/h14-16H,3-13H2,1-2H3
InChIKeyGTGXEZQNDVCEPI-UHFFFAOYSA-N
XLogP1.66
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(cyclobutylmethyl)-2,4-dimethylpiperazine
CID 130719012
2-cyclopentyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone
CID 71784724
2-cyclohexyl-1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone
CID 71784735
[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-(4-ethylphenyl)methanone
CID 71784741
cyclobutyl-(4-methylpiperazin-1-yl)methanone;ethane
CID 176666855
(2R)-1-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-2,4-dimethylpiperazine
CID 97039646
1-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-4-phenylbutan-1-one
CID 71784766
4-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-N-thiophen-2-ylpiperidine-1-carboxamide
CID 97039658
1-[4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 97039635
cyclobutyl-[4-[[(3S,5R)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone;cyclopentyl-[4-[[(3R,5S)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone
CID 170319473
[4-(aminomethyl)piperidin-1-yl]-cyclobutylmethanone;hydrochloride
CID 53256357
2-[(3R)-4-(cyclobutylmethyl)-3-methylpiperazin-1-yl]acetic acid
CID 166175457

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone (CID 71784715) is cyclobutyl-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone is CC1CN(C)CCN1CC1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of cyclobutyl-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is GTGXEZQNDVCEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-14-12-18(2)10-11-20(14)13-15-6-8-19(9-7-15)17(21)16-4-3-5-16/h14-16H,3-13H2,1-2H3.
What are the key properties of cyclobutyl-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone?
cyclobutyl-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 293.45 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 71784715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).