5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]pyrrolidin-2-one

C12H24N4O — CID 107529483

IUPAC5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]pyrrolidin-2-one
SMILESCN1CCN(C)C(CNCC2CCC(=O)N2)C1
InChIInChI=1S/C12H24N4O/c1-15-5-6-16(2)11(9-15)8-13-7-10-3-4-12(17)14-10/h10-11,13H,3-9H2,1-2H3,(H,14,17)
InChIKeyWIGNIHRAYUVPKX-UHFFFAOYSA-N
MW240.35 g/mol
LogP-0.90
Rot. Bonds4

About 5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]pyrrolidin-2-one

5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]pyrrolidin-2-one (PubChem CID 107529483) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]pyrrolidin-2-one
PubChem CID107529483
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]pyrrolidin-2-one
SMILESCN1CCN(C)C(CNCC2CCC(=O)N2)C1
InChIInChI=1S/C12H24N4O/c1-15-5-6-16(2)11(9-15)8-13-7-10-3-4-12(17)14-10/h10-11,13H,3-9H2,1-2H3,(H,14,17)
InChIKeyWIGNIHRAYUVPKX-UHFFFAOYSA-N
XLogP-0.90
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 198695
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CID 10353699
5-(Piperidine-1-carbonyl)pyrrolidin-2-one
CID 3042287
1-(Piperidin-4-yl)pyrrolidin-2-one
CID 18314250
(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carboxamide
CID 9549203
Octahydropyrrolo[1,2-a]piperazin-6-one
CID 10820612
1-(1-Methylpyrrolidine-2-carbonyl)piperazine
CID 19704824
(2S)-1-[2-[[(3R)-piperidin-3-yl]amino]acetyl]pyrrolidine-2-carboxamide
CID 57341087
(2S)-1-[(3R)-1-(2-aminoacetyl)piperidin-3-yl]pyrrolidine-2-carboxamide
CID 57341281
(2S)-1-[2-[[(3S)-piperidin-3-yl]amino]acetyl]pyrrolidine-2-carboxamide
CID 57341815
(2S)-1-[(3S)-1-(2-aminoacetyl)piperidin-3-yl]pyrrolidine-2-carboxamide
CID 57341980
(S)-N,N-Diethyl-5-oxopyrrolidine-2-carboxamide
CID 13210764

Frequently Asked Questions

What is the IUPAC name of 5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]pyrrolidin-2-one (CID 107529483) is 5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]pyrrolidin-2-one is CN1CCN(C)C(CNCC2CCC(=O)N2)C1.
What is the InChIKey of 5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]pyrrolidin-2-one?
The InChIKey is WIGNIHRAYUVPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-15-5-6-16(2)11(9-15)8-13-7-10-3-4-12(17)14-10/h10-11,13H,3-9H2,1-2H3,(H,14,17).
What are the key properties of 5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]pyrrolidin-2-one?
5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]pyrrolidin-2-one has a molecular weight of 240.35 g/mol, XLogP of -0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 107529483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).