1-[1-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]cyclobutyl]ethanone

C18H30N2O2 — CID 168881927

IUPAC1-[1-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]cyclobutyl]ethanone
SMILESCC(=O)C1(C2CCN(C(=O)C3CCN(C)CC3)CC2)CCC1
InChIInChI=1S/C18H30N2O2/c1-14(21)18(8-3-9-18)16-6-12-20(13-7-16)17(22)15-4-10-19(2)11-5-15/h15-16H,3-13H2,1-2H3
InChIKeyHUVZMYIOIKSQHP-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.33
Rot. Bonds3

About 1-[1-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]cyclobutyl]ethanone

1-[1-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]cyclobutyl]ethanone (PubChem CID 168881927) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-[1-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]cyclobutyl]ethanone.

Molecular Properties

Compound Name1-[1-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]cyclobutyl]ethanone
PubChem CID168881927
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name1-[1-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]cyclobutyl]ethanone
SMILESCC(=O)C1(C2CCN(C(=O)C3CCN(C)CC3)CC2)CCC1
InChIInChI=1S/C18H30N2O2/c1-14(21)18(8-3-9-18)16-6-12-20(13-7-16)17(22)15-4-10-19(2)11-5-15/h15-16H,3-13H2,1-2H3
InChIKeyHUVZMYIOIKSQHP-UHFFFAOYSA-N
XLogP2.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-(1-methylpiperidin-4-yl)methanone
CID 156836980
4-(1-methylpiperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 69084155
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 109145589
1-[8-(1-methylpiperidine-4-carbonyl)-8-azaspiro[4.5]decan-3-yl]ethanone
CID 168882358
(4-aminopiperazin-1-yl)-(1-methylpiperidin-4-yl)methanone
CID 174315693
cyclobutyl-(4-methylpiperazin-1-yl)methanone;ethane
CID 176666855
1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone
CID 168881895
ethane;(3-methyl-3-azaspiro[5.5]undecan-9-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 169258026
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 109146216
(3,4-diaminopyrrolidin-1-yl)-(1-methylpiperidin-4-yl)methanone
CID 90427686
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
1-[1-[1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]cyclobutane-1-carboxylic acid
CID 155957111

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]cyclobutyl]ethanone?
The IUPAC name of 1-[1-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]cyclobutyl]ethanone (CID 168881927) is 1-[1-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]cyclobutyl]ethanone.
What is the SMILES notation for 1-[1-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]cyclobutyl]ethanone?
The canonical SMILES for 1-[1-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]cyclobutyl]ethanone is CC(=O)C1(C2CCN(C(=O)C3CCN(C)CC3)CC2)CCC1.
What is the InChIKey of 1-[1-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]cyclobutyl]ethanone?
The InChIKey is HUVZMYIOIKSQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-14(21)18(8-3-9-18)16-6-12-20(13-7-16)17(22)15-4-10-19(2)11-5-15/h15-16H,3-13H2,1-2H3.
What are the key properties of 1-[1-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]cyclobutyl]ethanone?
1-[1-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]cyclobutyl]ethanone has a molecular weight of 306.45 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]cyclobutyl]ethanone is sourced from PubChem (CID 168881927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).