1-(piperidin-3-ylmethyl)pyrrolidin-3-one;hydrochloride

C10H19ClN2O — CID 115031072

IUPAC1-(piperidin-3-ylmethyl)pyrrolidin-3-one;hydrochloride
SMILESCl.O=C1CCN(CC2CCCNC2)C1
InChIInChI=1S/C10H18N2O.ClH/c13-10-3-5-12(8-10)7-9-2-1-4-11-6-9;/h9,11H,1-8H2;1H
InChIKeyKSPLTIRYPKIPNW-UHFFFAOYSA-N
MW218.73 g/mol
LogP0.68
Rot. Bonds2

About 1-(piperidin-3-ylmethyl)pyrrolidin-3-one;hydrochloride

1-(piperidin-3-ylmethyl)pyrrolidin-3-one;hydrochloride (PubChem CID 115031072) has the molecular formula C10H19ClN2O and a molecular weight of 218.73 g/mol. Its IUPAC name is 1-(piperidin-3-ylmethyl)pyrrolidin-3-one;hydrochloride.

Molecular Properties

Compound Name1-(piperidin-3-ylmethyl)pyrrolidin-3-one;hydrochloride
PubChem CID115031072
Molecular FormulaC10H19ClN2O
Molecular Weight218.73 g/mol
Exact Mass218.12
IUPAC Name1-(piperidin-3-ylmethyl)pyrrolidin-3-one;hydrochloride
SMILESCl.O=C1CCN(CC2CCCNC2)C1
InChIInChI=1S/C10H18N2O.ClH/c13-10-3-5-12(8-10)7-9-2-1-4-11-6-9;/h9,11H,1-8H2;1H
InChIKeyKSPLTIRYPKIPNW-UHFFFAOYSA-N
XLogP0.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.73
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopentylmethyl)pyrrolidin-3-one
CID 43371123
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 53408753
1-(piperidin-3-ylmethyl)-1,4-diazepan-5-one
CID 63004638
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 24703662
5-(piperidin-3-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
CID 119929943
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-ol;hydrochloride
CID 119930578
6-bromo-2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 120850519
5-[[(3S)-piperidin-3-yl]methyl]-1,2,5-dithiazepane
CID 130659365
(3R)-1-(piperidin-3-ylmethyl)pyrrolidin-3-ol;hydrochloride
CID 130662876
5-fluoro-1-[[(3R)-piperidin-3-yl]methyl]-3,6-dihydro-2H-pyridine
CID 127007478
3-cyclopropyl-1-(piperidin-3-ylmethyl)imidazolidin-4-one
CID 120857361
4-[[(3R)-pyrrolidin-3-yl]methyl]piperazin-2-one
CID 86323546

Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-3-ylmethyl)pyrrolidin-3-one;hydrochloride?
The IUPAC name of 1-(piperidin-3-ylmethyl)pyrrolidin-3-one;hydrochloride (CID 115031072) is 1-(piperidin-3-ylmethyl)pyrrolidin-3-one;hydrochloride.
What is the SMILES notation for 1-(piperidin-3-ylmethyl)pyrrolidin-3-one;hydrochloride?
The canonical SMILES for 1-(piperidin-3-ylmethyl)pyrrolidin-3-one;hydrochloride is Cl.O=C1CCN(CC2CCCNC2)C1.
What is the InChIKey of 1-(piperidin-3-ylmethyl)pyrrolidin-3-one;hydrochloride?
The InChIKey is KSPLTIRYPKIPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O.ClH/c13-10-3-5-12(8-10)7-9-2-1-4-11-6-9;/h9,11H,1-8H2;1H.
What are the key properties of 1-(piperidin-3-ylmethyl)pyrrolidin-3-one;hydrochloride?
1-(piperidin-3-ylmethyl)pyrrolidin-3-one;hydrochloride has a molecular weight of 218.73 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-3-ylmethyl)pyrrolidin-3-one;hydrochloride is sourced from PubChem (CID 115031072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).