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

C12H22N2O — CID 60857529

IUPAC1-[(1-ethylpyrrolidin-3-yl)methyl]piperidin-4-one
SMILESCCN1CCC(CN2CCC(=O)CC2)C1
InChIInChI=1S/C12H22N2O/c1-2-13-6-3-11(9-13)10-14-7-4-12(15)5-8-14/h11H,2-10H2,1H3
InChIKeyPVPSEQDWBOJXJV-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.99
Rot. Bonds3

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

1-[(1-ethylpyrrolidin-3-yl)methyl]piperidin-4-one (PubChem CID 60857529) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-[(1-ethylpyrrolidin-3-yl)methyl]piperidin-4-one.

Molecular Properties

Compound Name1-[(1-ethylpyrrolidin-3-yl)methyl]piperidin-4-one
PubChem CID60857529
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-[(1-ethylpyrrolidin-3-yl)methyl]piperidin-4-one
SMILESCCN1CCC(CN2CCC(=O)CC2)C1
InChIInChI=1S/C12H22N2O/c1-2-13-6-3-11(9-13)10-14-7-4-12(15)5-8-14/h11H,2-10H2,1H3
InChIKeyPVPSEQDWBOJXJV-UHFFFAOYSA-N
XLogP0.99
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-one
CID 60854921
1-ethyl-3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyrrolidine
CID 167479940
3-ethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-1,4-diazepane-2,5-dione
CID 64963488
1-[[4-(hydroxymethyl)cyclohexyl]methyl]piperidin-4-one
CID 172590869
1-(piperidin-4-ylmethyl)piperidin-4-one
CID 115020783
1,3-diethylpyrrolidine;ethane
CID 145103245
1-[[(1R)-3-oxocyclohexyl]methyl]piperidin-4-one
CID 10750918
ethane;1-[(1-ethylpyrrolidin-3-yl)methyl]-4-(4-propan-2-ylpiperidin-1-yl)piperidine
CID 177135021
ethane;1-ethyl-3-[[4-[(1-methylpiperidin-4-yl)methyl]piperidin-1-yl]methyl]piperidine
CID 171641483
(5S)-5-(aminomethyl)-3-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazolidin-2-one
CID 115056598
2,5-diethyl-3-[(1-ethylpyrrolidin-3-yl)methyl]imidazolidin-4-one
CID 83256770
(3S)-1-ethyl-3-[[4-(1-methylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine
CID 171641277

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrrolidin-3-yl)methyl]piperidin-4-one?
The IUPAC name of 1-[(1-ethylpyrrolidin-3-yl)methyl]piperidin-4-one (CID 60857529) is 1-[(1-ethylpyrrolidin-3-yl)methyl]piperidin-4-one.
What is the SMILES notation for 1-[(1-ethylpyrrolidin-3-yl)methyl]piperidin-4-one?
The canonical SMILES for 1-[(1-ethylpyrrolidin-3-yl)methyl]piperidin-4-one is CCN1CCC(CN2CCC(=O)CC2)C1.
What is the InChIKey of 1-[(1-ethylpyrrolidin-3-yl)methyl]piperidin-4-one?
The InChIKey is PVPSEQDWBOJXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-2-13-6-3-11(9-13)10-14-7-4-12(15)5-8-14/h11H,2-10H2,1H3.
What are the key properties of 1-[(1-ethylpyrrolidin-3-yl)methyl]piperidin-4-one?
1-[(1-ethylpyrrolidin-3-yl)methyl]piperidin-4-one has a molecular weight of 210.32 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrrolidin-3-yl)methyl]piperidin-4-one is sourced from PubChem (CID 60857529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).