1-ethyl-5-(piperazin-1-ylmethyl)piperidin-2-one

C12H23N3O — CID 82509807

IUPAC1-ethyl-5-(piperazin-1-ylmethyl)piperidin-2-one
SMILESCCN1CC(CN2CCNCC2)CCC1=O
InChIInChI=1S/C12H23N3O/c1-2-15-10-11(3-4-12(15)16)9-14-7-5-13-6-8-14/h11,13H,2-10H2,1H3
InChIKeyUXUPBIJBUARFPR-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.15
Rot. Bonds3

About 1-ethyl-5-(piperazin-1-ylmethyl)piperidin-2-one

1-ethyl-5-(piperazin-1-ylmethyl)piperidin-2-one (PubChem CID 82509807) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-ethyl-5-(piperazin-1-ylmethyl)piperidin-2-one.

Molecular Properties

Compound Name1-ethyl-5-(piperazin-1-ylmethyl)piperidin-2-one
PubChem CID82509807
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-ethyl-5-(piperazin-1-ylmethyl)piperidin-2-one
SMILESCCN1CC(CN2CCNCC2)CCC1=O
InChIInChI=1S/C12H23N3O/c1-2-15-10-11(3-4-12(15)16)9-14-7-5-13-6-8-14/h11,13H,2-10H2,1H3
InChIKeyUXUPBIJBUARFPR-UHFFFAOYSA-N
XLogP0.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-2-one
CID 119931911
1-(cyclohexylmethyl)piperazine;hydrobromide
CID 71323423
1-(cyclohexylmethyl)piperazine;piperazine
CID 66986907
1-(piperidin-4-ylmethyl)piperidin-4-one
CID 115020783
1-[(1-ethylpyrrolidin-3-yl)methyl]piperidin-4-one
CID 60857529
8-ethyl-3-(piperazin-1-ylmethyl)-8-azabicyclo[3.2.1]octane
CID 170586030
(5R)-1-ethyl-5-methoxypiperidin-2-one
CID 170617785
ethane;2-[(3S)-3-(piperazin-1-ylmethyl)pyrrolidin-1-yl]ethanol;propane
CID 142386268
4-[(1-methylpyrrolidin-2-yl)methyl]-1,4-diazepan-5-one
CID 115100457
ethyl (3R)-3-(piperazin-1-ylmethyl)piperidine-1-carboxylate
CID 94830781
4-(thian-4-ylmethyl)-1,4-diazepan-5-one
CID 115100428
1-ethyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine
CID 167091278

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(piperazin-1-ylmethyl)piperidin-2-one?
The IUPAC name of 1-ethyl-5-(piperazin-1-ylmethyl)piperidin-2-one (CID 82509807) is 1-ethyl-5-(piperazin-1-ylmethyl)piperidin-2-one.
What is the SMILES notation for 1-ethyl-5-(piperazin-1-ylmethyl)piperidin-2-one?
The canonical SMILES for 1-ethyl-5-(piperazin-1-ylmethyl)piperidin-2-one is CCN1CC(CN2CCNCC2)CCC1=O.
What is the InChIKey of 1-ethyl-5-(piperazin-1-ylmethyl)piperidin-2-one?
The InChIKey is UXUPBIJBUARFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-2-15-10-11(3-4-12(15)16)9-14-7-5-13-6-8-14/h11,13H,2-10H2,1H3.
What are the key properties of 1-ethyl-5-(piperazin-1-ylmethyl)piperidin-2-one?
1-ethyl-5-(piperazin-1-ylmethyl)piperidin-2-one has a molecular weight of 225.34 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(piperazin-1-ylmethyl)piperidin-2-one is sourced from PubChem (CID 82509807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).