1-(4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl)-2-pyrrolidin-1-ylethanone

C16H28N2O2 — CID 156603307

IUPAC1-(4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl)-2-pyrrolidin-1-ylethanone
SMILESCC1CN(C(=O)CN2CCCC2)CCC1(O)C1CCC1
InChIInChI=1S/C16H28N2O2/c1-13-11-18(15(19)12-17-8-2-3-9-17)10-7-16(13,20)14-5-4-6-14/h13-14,20H,2-12H2,1H3
InChIKeyKZVXCFMCKVXQQF-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.48
Rot. Bonds3

About 1-(4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl)-2-pyrrolidin-1-ylethanone

1-(4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl)-2-pyrrolidin-1-ylethanone (PubChem CID 156603307) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl)-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-(4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl)-2-pyrrolidin-1-ylethanone
PubChem CID156603307
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-(4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl)-2-pyrrolidin-1-ylethanone
SMILESCC1CN(C(=O)CN2CCCC2)CCC1(O)C1CCC1
InChIInChI=1S/C16H28N2O2/c1-13-11-18(15(19)12-17-8-2-3-9-17)10-7-16(13,20)14-5-4-6-14/h13-14,20H,2-12H2,1H3
InChIKeyKZVXCFMCKVXQQF-UHFFFAOYSA-N
XLogP1.48
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-3-methylbut-2-en-1-one
CID 72865072
2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 81107738
2-(4-hydroxy-4-methylazepan-1-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 107407870
[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 72927339
2-(azepan-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 51074710
2-(azepan-1-yl)-1-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 94823036
[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone
CID 72870061
(3R,4R)-4-cyclobutyl-N-[(3-fluorophenyl)methyl]-4-hydroxy-3-methylpiperidine-1-carboxamide
CID 72847414
5-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 72867263
2-(4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 39903910
1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-piperidin-1-ylethanone
CID 110156307
1-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)pentane-1,4-dione
CID 81103621

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl)-2-pyrrolidin-1-ylethanone?
The IUPAC name of 1-(4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl)-2-pyrrolidin-1-ylethanone (CID 156603307) is 1-(4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl)-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-(4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl)-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-(4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl)-2-pyrrolidin-1-ylethanone is CC1CN(C(=O)CN2CCCC2)CCC1(O)C1CCC1.
What is the InChIKey of 1-(4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl)-2-pyrrolidin-1-ylethanone?
The InChIKey is KZVXCFMCKVXQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-13-11-18(15(19)12-17-8-2-3-9-17)10-7-16(13,20)14-5-4-6-14/h13-14,20H,2-12H2,1H3.
What are the key properties of 1-(4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl)-2-pyrrolidin-1-ylethanone?
1-(4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl)-2-pyrrolidin-1-ylethanone has a molecular weight of 280.41 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl)-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 156603307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).