2-[4-(2-methyl-2-piperazin-1-ylpropanoyl)piperazin-1-yl]acetic acid

C14H26N4O3 — CID 80547819

IUPAC2-[4-(2-methyl-2-piperazin-1-ylpropanoyl)piperazin-1-yl]acetic acid
SMILESCC(C)(C(=O)N1CCN(CC(=O)O)CC1)N1CCNCC1
InChIInChI=1S/C14H26N4O3/c1-14(2,18-5-3-15-4-6-18)13(21)17-9-7-16(8-10-17)11-12(19)20/h15H,3-11H2,1-2H3,(H,19,20)
InChIKeyTXHUZJGLCILKLV-UHFFFAOYSA-N
MW298.39 g/mol
LogP-1.10
Rot. Bonds4

About 2-[4-(2-methyl-2-piperazin-1-ylpropanoyl)piperazin-1-yl]acetic acid

2-[4-(2-methyl-2-piperazin-1-ylpropanoyl)piperazin-1-yl]acetic acid (PubChem CID 80547819) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[4-(2-methyl-2-piperazin-1-ylpropanoyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-methyl-2-piperazin-1-ylpropanoyl)piperazin-1-yl]acetic acid
PubChem CID80547819
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name2-[4-(2-methyl-2-piperazin-1-ylpropanoyl)piperazin-1-yl]acetic acid
SMILESCC(C)(C(=O)N1CCN(CC(=O)O)CC1)N1CCNCC1
InChIInChI=1S/C14H26N4O3/c1-14(2,18-5-3-15-4-6-18)13(21)17-9-7-16(8-10-17)11-12(19)20/h15H,3-11H2,1-2H3,(H,19,20)
InChIKeyTXHUZJGLCILKLV-UHFFFAOYSA-N
XLogP-1.10
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;2-piperazin-1-ylacetic acid
CID 143723779
2-[4,7-bis[(2-methylpropan-2-yl)oxycarbonyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 142939665
trisodium;2-[4,7-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;hydride
CID 174236195
2-[7-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;dihydrochloride
CID 154804834
2-piperazin-1-ylacetic acid;dihydrochloride
CID 53433190
2-methyl-1-(4-methylsulfonylpiperazin-1-yl)-2-piperazin-1-ylpropan-1-one
CID 80548168
1-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 80547764
2-methyl-2-piperazin-1-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103812458
2-[4,8-bis(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
CID 11036131
2-methyl-2-(4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 39256559
2-[7-(carboxymethyl)-1,4,7,10-tetrazacyclotridec-1-yl]acetic acid
CID 143227014
2-[4-(carboxymethyl)-7-(2,2-dihydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 166881958

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyl-2-piperazin-1-ylpropanoyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(2-methyl-2-piperazin-1-ylpropanoyl)piperazin-1-yl]acetic acid (CID 80547819) is 2-[4-(2-methyl-2-piperazin-1-ylpropanoyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-methyl-2-piperazin-1-ylpropanoyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2-methyl-2-piperazin-1-ylpropanoyl)piperazin-1-yl]acetic acid is CC(C)(C(=O)N1CCN(CC(=O)O)CC1)N1CCNCC1.
What is the InChIKey of 2-[4-(2-methyl-2-piperazin-1-ylpropanoyl)piperazin-1-yl]acetic acid?
The InChIKey is TXHUZJGLCILKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-14(2,18-5-3-15-4-6-18)13(21)17-9-7-16(8-10-17)11-12(19)20/h15H,3-11H2,1-2H3,(H,19,20).
What are the key properties of 2-[4-(2-methyl-2-piperazin-1-ylpropanoyl)piperazin-1-yl]acetic acid?
2-[4-(2-methyl-2-piperazin-1-ylpropanoyl)piperazin-1-yl]acetic acid has a molecular weight of 298.39 g/mol, XLogP of -1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyl-2-piperazin-1-ylpropanoyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 80547819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).