1-[[(3S)-piperidin-3-yl]methyl]pyrrolidin-2-one

C10H18N2O — CID 7013510

IUPAC1-[[(3S)-piperidin-3-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1C[C@H]1CCCNC1
InChIInChI=1S/C10H18N2O/c13-10-4-2-6-12(10)8-9-3-1-5-11-7-9/h9,11H,1-8H2/t9-/m0/s1
InChIKeyPNQLQOFVZKTDSF-VIFPVBQESA-N
MW182.27 g/mol
LogP0.61
Rot. Bonds2

About 1-[[(3S)-piperidin-3-yl]methyl]pyrrolidin-2-one

1-[[(3S)-piperidin-3-yl]methyl]pyrrolidin-2-one (PubChem CID 7013510) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-[[(3S)-piperidin-3-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[(3S)-piperidin-3-yl]methyl]pyrrolidin-2-one
PubChem CID7013510
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-[[(3S)-piperidin-3-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1C[C@H]1CCCNC1
InChIInChI=1S/C10H18N2O/c13-10-4-2-6-12(10)8-9-3-1-5-11-7-9/h9,11H,1-8H2/t9-/m0/s1
InChIKeyPNQLQOFVZKTDSF-VIFPVBQESA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3S)-piperidin-3-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[(3S)-piperidin-3-yl]methyl]pyrrolidin-2-one (CID 7013510) is 1-[[(3S)-piperidin-3-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[(3S)-piperidin-3-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[(3S)-piperidin-3-yl]methyl]pyrrolidin-2-one is O=C1CCCN1C[C@H]1CCCNC1.
What is the InChIKey of 1-[[(3S)-piperidin-3-yl]methyl]pyrrolidin-2-one?
The InChIKey is PNQLQOFVZKTDSF-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18N2O/c13-10-4-2-6-12(10)8-9-3-1-5-11-7-9/h9,11H,1-8H2/t9-/m0/s1.
What are the key properties of 1-[[(3S)-piperidin-3-yl]methyl]pyrrolidin-2-one?
1-[[(3S)-piperidin-3-yl]methyl]pyrrolidin-2-one has a molecular weight of 182.27 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3S)-piperidin-3-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 7013510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).