(4-methylpiperazin-1-yl)-pyrrolidin-2-ylmethanone

C10H19N3O — CID 14084856

IUPAC(4-methylpiperazin-1-yl)-pyrrolidin-2-ylmethanone
SMILESCN1CCN(C(=O)C2CCCN2)CC1
InChIInChI=1S/C10H19N3O/c1-12-5-7-13(8-6-12)10(14)9-3-2-4-11-9/h9,11H,2-8H2,1H3
InChIKeyFXYNRDLXGBFSTB-UHFFFAOYSA-N
MW197.28 g/mol
LogP-0.49
Rot. Bonds1

About (4-methylpiperazin-1-yl)-pyrrolidin-2-ylmethanone

(4-methylpiperazin-1-yl)-pyrrolidin-2-ylmethanone (PubChem CID 14084856) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-pyrrolidin-2-ylmethanone
PubChem CID14084856
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name(4-methylpiperazin-1-yl)-pyrrolidin-2-ylmethanone
SMILESCN1CCN(C(=O)C2CCCN2)CC1
InChIInChI=1S/C10H19N3O/c1-12-5-7-13(8-6-12)10(14)9-3-2-4-11-9/h9,11H,2-8H2,1H3
InChIKeyFXYNRDLXGBFSTB-UHFFFAOYSA-N
XLogP-0.49
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-Amino-2-piperidone
CID 5200225
3-Methyl-octahydropyrrolo(1,2-a)piperazine-1,4-dione
CID 6428987
Cyclo(glycylprolyl)
CID 193540
cyclo(L-Pro-L-Val)
CID 6992261
Pyrrolo(1,2-a)pyrazine-1,4-dione, hexahydro-3-(1-methylethyl)-
CID 98951
(3S)-3-aminopiperidin-2-one
CID 7200369
(2S)-aminobutyryl-L-proline isobutylamide
CID 11499834
(2S)-aminobutyryl-L-proline n-butylamide
CID 11514390

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-pyrrolidin-2-ylmethanone?
The IUPAC name of (4-methylpiperazin-1-yl)-pyrrolidin-2-ylmethanone (CID 14084856) is (4-methylpiperazin-1-yl)-pyrrolidin-2-ylmethanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-pyrrolidin-2-ylmethanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-pyrrolidin-2-ylmethanone is CN1CCN(C(=O)C2CCCN2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-pyrrolidin-2-ylmethanone?
The InChIKey is FXYNRDLXGBFSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-12-5-7-13(8-6-12)10(14)9-3-2-4-11-9/h9,11H,2-8H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-pyrrolidin-2-ylmethanone?
(4-methylpiperazin-1-yl)-pyrrolidin-2-ylmethanone has a molecular weight of 197.28 g/mol, XLogP of -0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 14084856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).