3-cyclopentyl-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one

C13H23NO2 — CID 39950087

IUPAC3-cyclopentyl-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCC[C@H](O)C1
InChIInChI=1S/C13H23NO2/c15-12-6-3-9-14(10-12)13(16)8-7-11-4-1-2-5-11/h11-12,15H,1-10H2/t12-/m0/s1
InChIKeyZDYDYDNRHYWBRN-LBPRGKRZSA-N
MW225.33 g/mol
LogP1.94
Rot. Bonds3

About 3-cyclopentyl-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one

3-cyclopentyl-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one (PubChem CID 39950087) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 3-cyclopentyl-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
PubChem CID39950087
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name3-cyclopentyl-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCC[C@H](O)C1
InChIInChI=1S/C13H23NO2/c15-12-6-3-9-14(10-12)13(16)8-7-11-4-1-2-5-11/h11-12,15H,1-10H2/t12-/m0/s1
InChIKeyZDYDYDNRHYWBRN-LBPRGKRZSA-N
XLogP1.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one (CID 39950087) is 3-cyclopentyl-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one is O=C(CCC1CCCC1)N1CCC[C@H](O)C1.
What is the InChIKey of 3-cyclopentyl-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one?
The InChIKey is ZDYDYDNRHYWBRN-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H23NO2/c15-12-6-3-9-14(10-12)13(16)8-7-11-4-1-2-5-11/h11-12,15H,1-10H2/t12-/m0/s1.
What are the key properties of 3-cyclopentyl-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one?
3-cyclopentyl-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one has a molecular weight of 225.33 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one is sourced from PubChem (CID 39950087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).