2-[4-[(4-methylpiperazin-1-yl)carbamoyl]piperazin-1-yl]acetic acid

C12H23N5O3 — CID 83019678

IUPAC2-[4-[(4-methylpiperazin-1-yl)carbamoyl]piperazin-1-yl]acetic acid
SMILESCN1CCN(NC(=O)N2CCN(CC(=O)O)CC2)CC1
InChIInChI=1S/C12H23N5O3/c1-14-2-8-17(9-3-14)13-12(20)16-6-4-15(5-7-16)10-11(18)19/h2-10H2,1H3,(H,13,20)(H,18,19)
InChIKeyAGZUBEBILHIVNE-UHFFFAOYSA-N
MW285.35 g/mol
LogP-1.44
Rot. Bonds3

About 2-[4-[(4-methylpiperazin-1-yl)carbamoyl]piperazin-1-yl]acetic acid

2-[4-[(4-methylpiperazin-1-yl)carbamoyl]piperazin-1-yl]acetic acid (PubChem CID 83019678) has the molecular formula C12H23N5O3 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[4-[(4-methylpiperazin-1-yl)carbamoyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-methylpiperazin-1-yl)carbamoyl]piperazin-1-yl]acetic acid
PubChem CID83019678
Molecular FormulaC12H23N5O3
Molecular Weight285.35 g/mol
Exact Mass285.18
IUPAC Name2-[4-[(4-methylpiperazin-1-yl)carbamoyl]piperazin-1-yl]acetic acid
SMILESCN1CCN(NC(=O)N2CCN(CC(=O)O)CC2)CC1
InChIInChI=1S/C12H23N5O3/c1-14-2-8-17(9-3-14)13-12(20)16-6-4-15(5-7-16)10-11(18)19/h2-10H2,1H3,(H,13,20)(H,18,19)
InChIKeyAGZUBEBILHIVNE-UHFFFAOYSA-N
XLogP-1.44
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-methylpiperazin-1-yl)carbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 83018037
2-[7-(carboxymethyl)-4,10-dimethyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;ethane
CID 169258644
N-(4-methylpiperazin-1-yl)piperidine-1-carboxamide
CID 116657327
2-[4-(2-acetamidoethylcarbamoyl)piperazin-1-yl]acetic acid
CID 61201886
2-[7-(carboxymethyl)-4-ethyl-10-methyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 137448382
2-(4-ethyl-7-methyl-1,4,7-triazonan-1-yl)acetic acid
CID 159982673
2-[4-(carboxymethyl)-7-(methylamino)-1,4,7-triazonan-1-yl]acetic acid
CID 149028587
2-[4-[(2-ethoxy-2-oxoethyl)carbamoyl]piperazin-1-yl]acetic acid
CID 61206204
2-[4-(butylcarbamoyl)-1,4-diazepan-1-yl]acetic acid
CID 62824119
2-[4-[(1-methylpyrrolidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid
CID 61465103
2-[4-(2-ethylsulfinylethylcarbamoyl)piperazin-1-yl]acetic acid
CID 113495107
2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetic acid
CID 119134673

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylpiperazin-1-yl)carbamoyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[(4-methylpiperazin-1-yl)carbamoyl]piperazin-1-yl]acetic acid (CID 83019678) is 2-[4-[(4-methylpiperazin-1-yl)carbamoyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(4-methylpiperazin-1-yl)carbamoyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(4-methylpiperazin-1-yl)carbamoyl]piperazin-1-yl]acetic acid is CN1CCN(NC(=O)N2CCN(CC(=O)O)CC2)CC1.
What is the InChIKey of 2-[4-[(4-methylpiperazin-1-yl)carbamoyl]piperazin-1-yl]acetic acid?
The InChIKey is AGZUBEBILHIVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O3/c1-14-2-8-17(9-3-14)13-12(20)16-6-4-15(5-7-16)10-11(18)19/h2-10H2,1H3,(H,13,20)(H,18,19).
What are the key properties of 2-[4-[(4-methylpiperazin-1-yl)carbamoyl]piperazin-1-yl]acetic acid?
2-[4-[(4-methylpiperazin-1-yl)carbamoyl]piperazin-1-yl]acetic acid has a molecular weight of 285.35 g/mol, XLogP of -1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylpiperazin-1-yl)carbamoyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 83019678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).