(1-ethylcyclopentyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone

C13H23NO2 — CID 107224848

IUPAC(1-ethylcyclopentyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESCCC1(C(=O)N2CCC[C@H](O)C2)CCCC1
InChIInChI=1S/C13H23NO2/c1-2-13(7-3-4-8-13)12(16)14-9-5-6-11(15)10-14/h11,15H,2-10H2,1H3/t11-/m0/s1
InChIKeyCCWSAUFNGSMIEB-NSHDSACASA-N
MW225.33 g/mol
LogP1.94
Rot. Bonds2

About (1-ethylcyclopentyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone

(1-ethylcyclopentyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone (PubChem CID 107224848) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (1-ethylcyclopentyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylcyclopentyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
PubChem CID107224848
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(1-ethylcyclopentyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESCCC1(C(=O)N2CCC[C@H](O)C2)CCCC1
InChIInChI=1S/C13H23NO2/c1-2-13(7-3-4-8-13)12(16)14-9-5-6-11(15)10-14/h11,15H,2-10H2,1H3/t11-/m0/s1
InChIKeyCCWSAUFNGSMIEB-NSHDSACASA-N
XLogP1.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethylpiperidin-4-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 63127692
[1-(aminomethyl)cyclopentyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 94008212
(3-hydroxypiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63130056
(4-ethylpiperidin-4-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107217135
(3R)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxylic acid
CID 124576606
(4-ethylpiperidin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 107217313
[1-(aminomethyl)cyclohexyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 94895786
3-[1-(1-ethylcyclobutanecarbonyl)piperidin-3-yl]propanoic acid
CID 75483564
(3-hydroxypiperidin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 63138941
(3-ethylpiperidin-1-yl)-(3-ethylpiperidin-3-yl)methanone
CID 63130238
(1-aminocyclobutyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107222967
N-(2-aminoethyl)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxamide;hydrochloride
CID 119480453

Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopentyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The IUPAC name of (1-ethylcyclopentyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone (CID 107224848) is (1-ethylcyclopentyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for (1-ethylcyclopentyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for (1-ethylcyclopentyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone is CCC1(C(=O)N2CCC[C@H](O)C2)CCCC1.
What is the InChIKey of (1-ethylcyclopentyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The InChIKey is CCWSAUFNGSMIEB-NSHDSACASA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-13(7-3-4-8-13)12(16)14-9-5-6-11(15)10-14/h11,15H,2-10H2,1H3/t11-/m0/s1.
What are the key properties of (1-ethylcyclopentyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
(1-ethylcyclopentyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone has a molecular weight of 225.33 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopentyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 107224848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).