2-methyl-1-(piperazine-1-carbonyl)piperidine-2-carboxylic acid

C12H21N3O3 — CID 104597977

IUPAC2-methyl-1-(piperazine-1-carbonyl)piperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)N1CCNCC1
InChIInChI=1S/C12H21N3O3/c1-12(10(16)17)4-2-3-7-15(12)11(18)14-8-5-13-6-9-14/h13H,2-9H2,1H3,(H,16,17)
InChIKeyDKJCARIVSTUYFN-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.34
Rot. Bonds1

About 2-methyl-1-(piperazine-1-carbonyl)piperidine-2-carboxylic acid

2-methyl-1-(piperazine-1-carbonyl)piperidine-2-carboxylic acid (PubChem CID 104597977) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-methyl-1-(piperazine-1-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(piperazine-1-carbonyl)piperidine-2-carboxylic acid
PubChem CID104597977
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name2-methyl-1-(piperazine-1-carbonyl)piperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)N1CCNCC1
InChIInChI=1S/C12H21N3O3/c1-12(10(16)17)4-2-3-7-15(12)11(18)14-8-5-13-6-9-14/h13H,2-9H2,1H3,(H,16,17)
InChIKeyDKJCARIVSTUYFN-UHFFFAOYSA-N
XLogP0.34
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 106670570
2-methyl-1-(4-propylpiperidine-1-carbonyl)piperidine-2-carboxylic acid
CID 104598177
1-(1,3-dihydroisoindole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104598178
1-(2,2-dimethylmorpholine-4-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104597949
2-methyl-1-[methyl(piperidin-4-yl)carbamoyl]piperidine-2-carboxylic acid
CID 104597985
1-(6-azaspiro[2.5]octane-2-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104597374
2-methyl-1-(3-propan-2-ylpyrrolidine-1-carbonyl)piperidine-2-carboxylic acid
CID 104598443
1-(2,6-dimethylpiperidine-1-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104597846
2-methyl-1-[(2R)-piperidine-2-carbonyl]piperidine-2-carboxylic acid
CID 104914695
1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-2-methylpyrrolidine-2-carboxylic acid
CID 106836777
2-methyl-1-(2-methylcyclopropanecarbonyl)piperidine-2-carboxylic acid
CID 104595064
2-methyl-1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 114538735

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(piperazine-1-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-(piperazine-1-carbonyl)piperidine-2-carboxylic acid (CID 104597977) is 2-methyl-1-(piperazine-1-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(piperazine-1-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-(piperazine-1-carbonyl)piperidine-2-carboxylic acid is CC1(C(=O)O)CCCCN1C(=O)N1CCNCC1.
What is the InChIKey of 2-methyl-1-(piperazine-1-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is DKJCARIVSTUYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-12(10(16)17)4-2-3-7-15(12)11(18)14-8-5-13-6-9-14/h13H,2-9H2,1H3,(H,16,17).
What are the key properties of 2-methyl-1-(piperazine-1-carbonyl)piperidine-2-carboxylic acid?
2-methyl-1-(piperazine-1-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 255.32 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(piperazine-1-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 104597977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).