[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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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).