[(3S)-3-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone

C10H18N2O2 — CID 107222844

IUPAC[(3S)-3-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone
SMILESO=C(C1CCNC1)N1CCC[C@H](O)C1
InChIInChI=1S/C10H18N2O2/c13-9-2-1-5-12(7-9)10(14)8-3-4-11-6-8/h8-9,11,13H,1-7H2/t8?,9-/m0/s1
InChIKeyMDHJOYQZNQFPRJ-GKAPJAKFSA-N
MW198.27 g/mol
LogP-0.42
Rot. Bonds1

About [(3S)-3-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone

[(3S)-3-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone (PubChem CID 107222844) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is [(3S)-3-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone
PubChem CID107222844
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name[(3S)-3-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone
SMILESO=C(C1CCNC1)N1CCC[C@H](O)C1
InChIInChI=1S/C10H18N2O2/c13-9-2-1-5-12(7-9)10(14)8-3-4-11-6-8/h8-9,11,13H,1-7H2/t8?,9-/m0/s1
InChIKeyMDHJOYQZNQFPRJ-GKAPJAKFSA-N
XLogP-0.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-hydroxypiperidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 93086400
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
[(3S)-3-fluoropiperidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 129494555
(3R)-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 81120944
[(3R)-3-aminopiperidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 131163040
cyclopentyl-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93040537
[(3S)-pyrrolidin-3-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 94916279
(3-methoxypiperidin-1-yl)-pyrrolidin-3-ylmethanone
CID 103809318
2-[1-(pyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid
CID 63005504
[3-(1-hydroxyethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 121201689
pyrrolidin-3-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63167029
cyclopropyl-[3-(3-hydroxypiperidine-1-carbonyl)piperidin-1-yl]methanone
CID 43502686

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone?
The IUPAC name of [(3S)-3-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone (CID 107222844) is [(3S)-3-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone.
What is the SMILES notation for [(3S)-3-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone?
The canonical SMILES for [(3S)-3-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone is O=C(C1CCNC1)N1CCC[C@H](O)C1.
What is the InChIKey of [(3S)-3-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone?
The InChIKey is MDHJOYQZNQFPRJ-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H18N2O2/c13-9-2-1-5-12(7-9)10(14)8-3-4-11-6-8/h8-9,11,13H,1-7H2/t8?,9-/m0/s1.
What are the key properties of [(3S)-3-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone?
[(3S)-3-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone has a molecular weight of 198.27 g/mol, XLogP of -0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 107222844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).