1-methyl-4-[2-oxo-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-2-one

C17H31N5O2 — CID 127979460

IUPAC1-methyl-4-[2-oxo-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-2-one
SMILESCN1CCN(CC(=O)N2CCN(CCN3CCCC3)CC2)CC1=O
InChIInChI=1S/C17H31N5O2/c1-18-6-7-21(14-16(18)23)15-17(24)22-12-10-20(11-13-22)9-8-19-4-2-3-5-19/h2-15H2,1H3
InChIKeyZFXAXGPHOIHPOM-UHFFFAOYSA-N
MW337.47 g/mol
LogP-1.00
Rot. Bonds5

About 1-methyl-4-[2-oxo-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-2-one

1-methyl-4-[2-oxo-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-2-one (PubChem CID 127979460) has the molecular formula C17H31N5O2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 1-methyl-4-[2-oxo-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-[2-oxo-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-2-one
PubChem CID127979460
Molecular FormulaC17H31N5O2
Molecular Weight337.47 g/mol
Exact Mass337.25
IUPAC Name1-methyl-4-[2-oxo-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-2-one
SMILESCN1CCN(CC(=O)N2CCN(CCN3CCCC3)CC2)CC1=O
InChIInChI=1S/C17H31N5O2/c1-18-6-7-21(14-16(18)23)15-17(24)22-12-10-20(11-13-22)9-8-19-4-2-3-5-19/h2-15H2,1H3
InChIKeyZFXAXGPHOIHPOM-UHFFFAOYSA-N
XLogP-1.00
TPSA50.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 5-1.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-4-[2-oxo-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-2-one with MolForge

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Related Compounds

2-(4-methyl-3-oxopiperazin-1-yl)acetic acid
CID 55263568
4-(2-cyclohexyl-2-oxoethyl)-1-methylpiperazin-2-one
CID 104750864
4-[2-(1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl)-2-oxoethyl]-1-methylpiperazin-2-one
CID 127983336
ethyl 2-(4-methyl-3-oxopiperazin-1-yl)acetate
CID 64693243
1-methyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-2-one
CID 64693847
1-methyl-4-propanoylpiperazin-2-one
CID 64693548
4-(3,3-dimethyl-2-oxobutyl)-1-methyl-1,4-diazepan-2-one
CID 102889641
N-ethyl-2-(4-methyl-3-oxopiperazin-1-yl)acetamide
CID 166062321
3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one
CID 3021273
2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 14226088
1-(aziridin-1-yl)-2-(4-propylpiperazin-1-yl)ethanone
CID 89072510
1,2-bis(4-methylpiperazin-1-yl)ethanone
CID 160964399

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-oxo-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-2-one?
The IUPAC name of 1-methyl-4-[2-oxo-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-2-one (CID 127979460) is 1-methyl-4-[2-oxo-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-2-one.
What is the SMILES notation for 1-methyl-4-[2-oxo-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-2-one?
The canonical SMILES for 1-methyl-4-[2-oxo-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-2-one is CN1CCN(CC(=O)N2CCN(CCN3CCCC3)CC2)CC1=O.
What is the InChIKey of 1-methyl-4-[2-oxo-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-2-one?
The InChIKey is ZFXAXGPHOIHPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O2/c1-18-6-7-21(14-16(18)23)15-17(24)22-12-10-20(11-13-22)9-8-19-4-2-3-5-19/h2-15H2,1H3.
What are the key properties of 1-methyl-4-[2-oxo-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-2-one?
1-methyl-4-[2-oxo-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-2-one has a molecular weight of 337.47 g/mol, XLogP of -1.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-oxo-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-2-one is sourced from PubChem (CID 127979460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).