4-(1-methylpiperidine-4-carbonyl)piperazine-1-carboxylic acid

C12H21N3O3 — CID 69084155

IUPAC4-(1-methylpiperidine-4-carbonyl)piperazine-1-carboxylic acid
SMILESCN1CCC(C(=O)N2CCN(C(=O)O)CC2)CC1
InChIInChI=1S/C12H21N3O3/c1-13-4-2-10(3-5-13)11(16)14-6-8-15(9-7-14)12(17)18/h10H,2-9H2,1H3,(H,17,18)
InChIKeyPKHWBYZHFPRUMY-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.15
Rot. Bonds1

About 4-(1-methylpiperidine-4-carbonyl)piperazine-1-carboxylic acid

4-(1-methylpiperidine-4-carbonyl)piperazine-1-carboxylic acid (PubChem CID 69084155) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-(1-methylpiperidine-4-carbonyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(1-methylpiperidine-4-carbonyl)piperazine-1-carboxylic acid
PubChem CID69084155
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name4-(1-methylpiperidine-4-carbonyl)piperazine-1-carboxylic acid
SMILESCN1CCC(C(=O)N2CCN(C(=O)O)CC2)CC1
InChIInChI=1S/C12H21N3O3/c1-13-4-2-10(3-5-13)11(16)14-6-8-15(9-7-14)12(17)18/h10H,2-9H2,1H3,(H,17,18)
InChIKeyPKHWBYZHFPRUMY-UHFFFAOYSA-N
XLogP0.15
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminopiperazin-1-yl)-(1-methylpiperidin-4-yl)methanone
CID 174315693
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 109145589
cyclobutyl-(4-methylpiperazin-1-yl)methanone;ethane
CID 176666855
1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone
CID 168881895
4-(piperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 91186239
ethane;(1-methylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 171069680
(1-methylpiperidin-4-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 165146139
4-methylpiperazine-1-carboxylic acid;hydrochloride
CID 70630580
(3,4-diaminopyrrolidin-1-yl)-(1-methylpiperidin-4-yl)methanone
CID 90427686
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 109146216
4-(cyclopropanecarbonyl)piperazine-1-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone
CID 175756843
(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-(1-methylpiperidin-4-yl)methanone
CID 156836980

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidine-4-carbonyl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(1-methylpiperidine-4-carbonyl)piperazine-1-carboxylic acid (CID 69084155) is 4-(1-methylpiperidine-4-carbonyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(1-methylpiperidine-4-carbonyl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(1-methylpiperidine-4-carbonyl)piperazine-1-carboxylic acid is CN1CCC(C(=O)N2CCN(C(=O)O)CC2)CC1.
What is the InChIKey of 4-(1-methylpiperidine-4-carbonyl)piperazine-1-carboxylic acid?
The InChIKey is PKHWBYZHFPRUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-13-4-2-10(3-5-13)11(16)14-6-8-15(9-7-14)12(17)18/h10H,2-9H2,1H3,(H,17,18).
What are the key properties of 4-(1-methylpiperidine-4-carbonyl)piperazine-1-carboxylic acid?
4-(1-methylpiperidine-4-carbonyl)piperazine-1-carboxylic acid has a molecular weight of 255.32 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidine-4-carbonyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 69084155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).