2-cyclopentyloxy-1-(4-hydroxypiperidin-1-yl)-2-phenylethanone

C18H25NO3 — CID 110923625

IUPAC2-cyclopentyloxy-1-(4-hydroxypiperidin-1-yl)-2-phenylethanone
SMILESO=C(C(OC1CCCC1)c1ccccc1)N1CCC(O)CC1
InChIInChI=1S/C18H25NO3/c20-15-10-12-19(13-11-15)18(21)17(14-6-2-1-3-7-14)22-16-8-4-5-9-16/h1-3,6-7,15-17,20H,4-5,8-13H2
InChIKeyGFAVWJJDJQEURR-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.67
Rot. Bonds4

About 2-cyclopentyloxy-1-(4-hydroxypiperidin-1-yl)-2-phenylethanone

2-cyclopentyloxy-1-(4-hydroxypiperidin-1-yl)-2-phenylethanone (PubChem CID 110923625) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-cyclopentyloxy-1-(4-hydroxypiperidin-1-yl)-2-phenylethanone.

Molecular Properties

Compound Name2-cyclopentyloxy-1-(4-hydroxypiperidin-1-yl)-2-phenylethanone
PubChem CID110923625
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name2-cyclopentyloxy-1-(4-hydroxypiperidin-1-yl)-2-phenylethanone
SMILESO=C(C(OC1CCCC1)c1ccccc1)N1CCC(O)CC1
InChIInChI=1S/C18H25NO3/c20-15-10-12-19(13-11-15)18(21)17(14-6-2-1-3-7-14)22-16-8-4-5-9-16/h1-3,6-7,15-17,20H,4-5,8-13H2
InChIKeyGFAVWJJDJQEURR-UHFFFAOYSA-N
XLogP2.67
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(2S)-2-cyclopentyloxy-2-phenylacetyl]piperidine-3-carboxylic acid
CID 99638949
4-(2-cyclopentyloxy-2-phenylacetyl)morpholine-2-carboxylic acid
CID 122146208
2-cyclohexyloxy-2-phenylacetic acid
CID 43424351
(2R)-N-(1-acetylpiperidin-4-yl)-2-cyclopentyloxy-2-phenylacetamide
CID 95304150
1-(3-hydroxypyrrolidin-1-yl)-2-methoxy-2-phenylethanone
CID 62918304
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 66291678
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 79030711
methyl (2R)-2-cyclohexyloxy-2-phenylacetate
CID 45114259
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylethanone
CID 75432047
(2S)-2-cyclopropyloxy-2-phenylacetic acid
CID 167014814
3-(4-hydroxypiperidin-1-yl)-3-oxo-2-phenylpropanenitrile
CID 62878930
2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 43013126

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-1-(4-hydroxypiperidin-1-yl)-2-phenylethanone?
The IUPAC name of 2-cyclopentyloxy-1-(4-hydroxypiperidin-1-yl)-2-phenylethanone (CID 110923625) is 2-cyclopentyloxy-1-(4-hydroxypiperidin-1-yl)-2-phenylethanone.
What is the SMILES notation for 2-cyclopentyloxy-1-(4-hydroxypiperidin-1-yl)-2-phenylethanone?
The canonical SMILES for 2-cyclopentyloxy-1-(4-hydroxypiperidin-1-yl)-2-phenylethanone is O=C(C(OC1CCCC1)c1ccccc1)N1CCC(O)CC1.
What is the InChIKey of 2-cyclopentyloxy-1-(4-hydroxypiperidin-1-yl)-2-phenylethanone?
The InChIKey is GFAVWJJDJQEURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c20-15-10-12-19(13-11-15)18(21)17(14-6-2-1-3-7-14)22-16-8-4-5-9-16/h1-3,6-7,15-17,20H,4-5,8-13H2.
What are the key properties of 2-cyclopentyloxy-1-(4-hydroxypiperidin-1-yl)-2-phenylethanone?
2-cyclopentyloxy-1-(4-hydroxypiperidin-1-yl)-2-phenylethanone has a molecular weight of 303.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-1-(4-hydroxypiperidin-1-yl)-2-phenylethanone is sourced from PubChem (CID 110923625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).