2-cyclopentyl-1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone

C19H34N2O2 — CID 155721028

IUPAC2-cyclopentyl-1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCC1CC(O)CCN1CC1CCN(C(=O)CC2CCCC2)CC1
InChIInChI=1S/C19H34N2O2/c1-15-12-18(22)8-11-21(15)14-17-6-9-20(10-7-17)19(23)13-16-4-2-3-5-16/h15-18,22H,2-14H2,1H3
InChIKeyJAFYIPJCBOCADJ-UHFFFAOYSA-N
MW322.49 g/mol
LogP2.65
Rot. Bonds4

About 2-cyclopentyl-1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone

2-cyclopentyl-1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 155721028) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone
PubChem CID155721028
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Name2-cyclopentyl-1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCC1CC(O)CCN1CC1CCN(C(=O)CC2CCCC2)CC1
InChIInChI=1S/C19H34N2O2/c1-15-12-18(22)8-11-21(15)14-17-6-9-20(10-7-17)19(23)13-16-4-2-3-5-16/h15-18,22H,2-14H2,1H3
InChIKeyJAFYIPJCBOCADJ-UHFFFAOYSA-N
XLogP2.65
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3'R*,4'R*)-1'-(cycloheptylcarbonyl)-1,4'-bipiperidine-3',4-diol
CID 23723356
2-Cyclopentyl-1-{4-[(1-methyl-4-piperidyl)oxy]piperidino}-1-ethanone
CID 91916324
3-cyclopentyl-1-[(3R,4R)-4-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]propan-1-one
CID 164630330
[4-[(4-Hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 155721036
1-[3-[3-(4-Hydroxypiperidin-1-yl)-2-methyl-3-oxopropyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 126670272
3-[1-(2,2-Dimethylpropanoyl)piperidin-3-yl]-1-(4-hydroxypiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 134274418
2-[1-[1-(Dimethylamino)pentan-3-yl]-2-oxopiperidin-3-yl]acetaldehyde;1-methylpiperidin-4-ol
CID 141952771
(4-Hydroxypiperidin-1-yl)-(4-methylcyclohexyl)methanone;2-methylpentane
CID 143885395
3-Cyclopentyl-1-(2-ethyl-4-hydroxypiperidin-1-yl)propan-1-one
CID 150907819
cyclopentyl-[4-[[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]methanone
CID 155286465
2-cyclopentyl-1-[4-[[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]ethanone
CID 155302736
1-[4-[(4-Hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 155721017

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone (CID 155721028) is 2-cyclopentyl-1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone is CC1CC(O)CCN1CC1CCN(C(=O)CC2CCCC2)CC1.
What is the InChIKey of 2-cyclopentyl-1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is JAFYIPJCBOCADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-15-12-18(22)8-11-21(15)14-17-6-9-20(10-7-17)19(23)13-16-4-2-3-5-16/h15-18,22H,2-14H2,1H3.
What are the key properties of 2-cyclopentyl-1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone?
2-cyclopentyl-1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 322.49 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 155721028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).