1-(piperidin-2-ylmethyl)pyrrolidin-3-one

C10H18N2O — CID 115016246

IUPAC1-(piperidin-2-ylmethyl)pyrrolidin-3-one
SMILESO=C1CCN(CC2CCCCN2)C1
InChIInChI=1S/C10H18N2O/c13-10-4-6-12(8-10)7-9-3-1-2-5-11-9/h9,11H,1-8H2
InChIKeyBKFLMKUHBQKIEM-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.40
Rot. Bonds2

About 1-(piperidin-2-ylmethyl)pyrrolidin-3-one

1-(piperidin-2-ylmethyl)pyrrolidin-3-one (PubChem CID 115016246) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(piperidin-2-ylmethyl)pyrrolidin-3-one.

Molecular Properties

Compound Name1-(piperidin-2-ylmethyl)pyrrolidin-3-one
PubChem CID115016246
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-(piperidin-2-ylmethyl)pyrrolidin-3-one
SMILESO=C1CCN(CC2CCCCN2)C1
InChIInChI=1S/C10H18N2O/c13-10-4-6-12(8-10)7-9-3-1-2-5-11-9/h9,11H,1-8H2
InChIKeyBKFLMKUHBQKIEM-UHFFFAOYSA-N
XLogP0.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 115020782
4-(piperidin-2-ylmethyl)piperazin-2-one;hydrochloride
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1-(cyclopentylmethyl)pyrrolidin-3-one
CID 43371123
1-(piperidin-2-ylmethyl)pyrazolidin-3-one
CID 105440737
4-[[(2R)-piperidin-2-yl]methyl]thiomorpholine
CID 28787643
4-methyl-1-[[(2S)-piperidin-2-yl]methyl]piperidine
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1-[[(2R)-piperidin-2-yl]methyl]piperidin-4-ol
CID 86323612
(3R)-3-methyl-1-[[(2R)-piperidin-2-yl]methyl]piperidine
CID 124748585
1-(piperidin-3-ylmethyl)pyrrolidin-3-one;hydrochloride
CID 115031072
3-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine
CID 104870238
(2S)-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine
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3-(azocan-2-ylmethyl)-3-azabicyclo[3.3.1]nonane
CID 114240424

Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-2-ylmethyl)pyrrolidin-3-one?
The IUPAC name of 1-(piperidin-2-ylmethyl)pyrrolidin-3-one (CID 115016246) is 1-(piperidin-2-ylmethyl)pyrrolidin-3-one.
What is the SMILES notation for 1-(piperidin-2-ylmethyl)pyrrolidin-3-one?
The canonical SMILES for 1-(piperidin-2-ylmethyl)pyrrolidin-3-one is O=C1CCN(CC2CCCCN2)C1.
What is the InChIKey of 1-(piperidin-2-ylmethyl)pyrrolidin-3-one?
The InChIKey is BKFLMKUHBQKIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c13-10-4-6-12(8-10)7-9-3-1-2-5-11-9/h9,11H,1-8H2.
What are the key properties of 1-(piperidin-2-ylmethyl)pyrrolidin-3-one?
1-(piperidin-2-ylmethyl)pyrrolidin-3-one has a molecular weight of 182.27 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-2-ylmethyl)pyrrolidin-3-one is sourced from PubChem (CID 115016246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).