1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-one

C11H20N2O — CID 60854921

IUPAC1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-one
SMILESCN1CCC(CN2CCC(=O)CC2)C1
InChIInChI=1S/C11H20N2O/c1-12-5-2-10(8-12)9-13-6-3-11(14)4-7-13/h10H,2-9H2,1H3
InChIKeyQGONBPRVNCKSOU-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.60
Rot. Bonds2

About 1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-one

1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-one (PubChem CID 60854921) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-one.

Molecular Properties

Compound Name1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-one
PubChem CID60854921
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-one
SMILESCN1CCC(CN2CCC(=O)CC2)C1
InChIInChI=1S/C11H20N2O/c1-12-5-2-10(8-12)9-13-6-3-11(14)4-7-13/h10H,2-9H2,1H3
InChIKeyQGONBPRVNCKSOU-UHFFFAOYSA-N
XLogP0.60
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-ethylpyrrolidin-3-yl)methyl]piperidin-4-one
CID 60857529
1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-4-one
CID 114515872
3-[[3-(aziridin-1-ylmethyl)azetidin-1-yl]methyl]-1-methylpyrrolidine
CID 91076438
1-[(1,4-dimethylpiperazin-2-yl)methyl]piperidin-4-one
CID 63898397
4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-one
CID 115240224
1-[(1-methylazetidin-3-yl)methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 169319865
1-[[4-(hydroxymethyl)cyclohexyl]methyl]piperidin-4-one
CID 172590869
1-(piperidin-4-ylmethyl)piperidin-4-one
CID 115020783
1-[[(1R)-3-oxocyclohexyl]methyl]piperidin-4-one
CID 10750918
4-[[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]methyl]cyclohexan-1-one
CID 115240296
1-methyl-3-(pyrrolidin-1-ylmethyl)piperidine
CID 19028453
1,4-bis[(1-methylazetidin-3-yl)methyl]piperazine
CID 169319674

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-one?
The IUPAC name of 1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-one (CID 60854921) is 1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-one.
What is the SMILES notation for 1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-one?
The canonical SMILES for 1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-one is CN1CCC(CN2CCC(=O)CC2)C1.
What is the InChIKey of 1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-one?
The InChIKey is QGONBPRVNCKSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-12-5-2-10(8-12)9-13-6-3-11(14)4-7-13/h10H,2-9H2,1H3.
What are the key properties of 1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-one?
1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-one has a molecular weight of 196.29 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-one is sourced from PubChem (CID 60854921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).