2-(hydroxymethyl)piperazine-1,2-dicarboxamide

C7H14N4O3 — CID 141020073

IUPAC2-(hydroxymethyl)piperazine-1,2-dicarboxamide
SMILESNC(=O)N1CCNCC1(CO)C(N)=O
InChIInChI=1S/C7H14N4O3/c8-5(13)7(4-12)3-10-1-2-11(7)6(9)14/h10,12H,1-4H2,(H2,8,13)(H2,9,14)
InChIKeyUZWNFSFTUCLSKW-UHFFFAOYSA-N
MW202.21 g/mol
LogP-2.81
Rot. Bonds2

About 2-(hydroxymethyl)piperazine-1,2-dicarboxamide

2-(hydroxymethyl)piperazine-1,2-dicarboxamide (PubChem CID 141020073) has the molecular formula C7H14N4O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-(hydroxymethyl)piperazine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)piperazine-1,2-dicarboxamide
PubChem CID141020073
Molecular FormulaC7H14N4O3
Molecular Weight202.21 g/mol
Exact Mass202.11
IUPAC Name2-(hydroxymethyl)piperazine-1,2-dicarboxamide
SMILESNC(=O)N1CCNCC1(CO)C(N)=O
InChIInChI=1S/C7H14N4O3/c8-5(13)7(4-12)3-10-1-2-11(7)6(9)14/h10,12H,1-4H2,(H2,8,13)(H2,9,14)
InChIKeyUZWNFSFTUCLSKW-UHFFFAOYSA-N
XLogP-2.81
TPSA121.68 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-2.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylic acid
CID 77277312
1,2-dimethylpiperazine-2-carboxamide
CID 174849300
1-N-hydroxy-2-methylpiperazine-1,2-dicarboxamide
CID 139979655
1,7-diazaspiro[4.4]nonane-1-carboxamide
CID 91618521
2,2-dipyridin-2-ylpiperazine-1-carboxamide
CID 175910325
3-(hydroxymethyl)azetidine-3-carboxamide
CID 146446937
butanedioic acid;bis(piperazine-1-carboxamide)
CID 174927444
(3S)-3-hydroxypyrrolidine-3-carboxamide
CID 97359016
(2S)-2-tert-butyl-2-methylpiperazine-1-carboxylic acid
CID 23568516
piperazine-1-carboxamide;zinc
CID 175213463
(2S)-2-(2-aminoacetyl)-N-methyl-2-(2-phenylethyl)piperazine-1-carboxamide
CID 70067109
2-tert-butyl-2-iodopiperazine-1-carboxylic acid
CID 67738141

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)piperazine-1,2-dicarboxamide?
The IUPAC name of 2-(hydroxymethyl)piperazine-1,2-dicarboxamide (CID 141020073) is 2-(hydroxymethyl)piperazine-1,2-dicarboxamide.
What is the SMILES notation for 2-(hydroxymethyl)piperazine-1,2-dicarboxamide?
The canonical SMILES for 2-(hydroxymethyl)piperazine-1,2-dicarboxamide is NC(=O)N1CCNCC1(CO)C(N)=O.
What is the InChIKey of 2-(hydroxymethyl)piperazine-1,2-dicarboxamide?
The InChIKey is UZWNFSFTUCLSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O3/c8-5(13)7(4-12)3-10-1-2-11(7)6(9)14/h10,12H,1-4H2,(H2,8,13)(H2,9,14).
What are the key properties of 2-(hydroxymethyl)piperazine-1,2-dicarboxamide?
2-(hydroxymethyl)piperazine-1,2-dicarboxamide has a molecular weight of 202.21 g/mol, XLogP of -2.81, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)piperazine-1,2-dicarboxamide is sourced from PubChem (CID 141020073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).