[4-[(1S)-3-ethylcyclopentyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone

C19H27NO2 — CID 70824841

IUPAC[4-[(1S)-3-ethylcyclopentyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESCCC1CC[C@H](c2ccc(C(=O)N3CCC(O)CC3)cc2)C1
InChIInChI=1S/C19H27NO2/c1-2-14-3-4-17(13-14)15-5-7-16(8-6-15)19(22)20-11-9-18(21)10-12-20/h5-8,14,17-18,21H,2-4,9-13H2,1H3/t14?,17-/m0/s1
InChIKeyJWXZIXPSNYXWQW-JRZJBTRGSA-N
MW301.43 g/mol
LogP3.58
Rot. Bonds3

About [4-[(1S)-3-ethylcyclopentyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone

[4-[(1S)-3-ethylcyclopentyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 70824841) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is [4-[(1S)-3-ethylcyclopentyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(1S)-3-ethylcyclopentyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone
PubChem CID70824841
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name[4-[(1S)-3-ethylcyclopentyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESCCC1CC[C@H](c2ccc(C(=O)N3CCC(O)CC3)cc2)C1
InChIInChI=1S/C19H27NO2/c1-2-14-3-4-17(13-14)15-5-7-16(8-6-15)19(22)20-11-9-18(21)10-12-20/h5-8,14,17-18,21H,2-4,9-13H2,1H3/t14?,17-/m0/s1
InChIKeyJWXZIXPSNYXWQW-JRZJBTRGSA-N
XLogP3.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(1S)-3-[3-[[(1R)-1-(4-fluoro-2-hydroxyphenyl)ethyl]amino]iodanuidylpropyl]cyclopentyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 163428342
N-[[4-(4-hydroxypiperidine-1-carbonyl)phenyl]methyl]acetamide
CID 43393426
[4-[(1S)-3-[(2S)-2-(4-fluoro-3-methoxyphenyl)propyl]cyclopentyl]phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 159592094
[4-(ethylamino)phenyl]-(4-ethylpiperidin-1-yl)methanone
CID 62177623
(4-ethylazepan-1-yl)-(4-sulfanylphenyl)methanone
CID 107030649
[4-(3-hydroxyhex-1-ynyl)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 53338962
[4-(3-cyclopentylprop-1-ynyl)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 53338966
(4-hydroxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 139087671
(4-ethylazepan-1-yl)-phenylmethanone
CID 23381477
(4-aminopiperidin-1-yl)-(4-cyclohexylphenyl)methanone;hydrochloride
CID 119372876
(4-cyclohexylphenyl)-pyrrolidin-1-ylmethanone
CID 78791688
1-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]ethanone
CID 110761379

Frequently Asked Questions

What is the IUPAC name of [4-[(1S)-3-ethylcyclopentyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [4-[(1S)-3-ethylcyclopentyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone (CID 70824841) is [4-[(1S)-3-ethylcyclopentyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [4-[(1S)-3-ethylcyclopentyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [4-[(1S)-3-ethylcyclopentyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone is CCC1CC[C@H](c2ccc(C(=O)N3CCC(O)CC3)cc2)C1.
What is the InChIKey of [4-[(1S)-3-ethylcyclopentyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is JWXZIXPSNYXWQW-JRZJBTRGSA-N. The full InChI is InChI=1S/C19H27NO2/c1-2-14-3-4-17(13-14)15-5-7-16(8-6-15)19(22)20-11-9-18(21)10-12-20/h5-8,14,17-18,21H,2-4,9-13H2,1H3/t14?,17-/m0/s1.
What are the key properties of [4-[(1S)-3-ethylcyclopentyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone?
[4-[(1S)-3-ethylcyclopentyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 301.43 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1S)-3-ethylcyclopentyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 70824841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).