4-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid

C12H20N2O3 — CID 55177179

IUPAC4-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C12H20N2O3/c1-12(10(15)16)4-8-14(9-5-12)11(17)13-6-2-3-7-13/h2-9H2,1H3,(H,15,16)
InChIKeyPXLCEOGHLSZAOY-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.39
Rot. Bonds1

About 4-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid

4-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid (PubChem CID 55177179) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
PubChem CID55177179
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name4-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C12H20N2O3/c1-12(10(15)16)4-8-14(9-5-12)11(17)13-6-2-3-7-13/h2-9H2,1H3,(H,15,16)
InChIKeyPXLCEOGHLSZAOY-UHFFFAOYSA-N
XLogP1.39
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-(3-methylpiperidine-1-carbonyl)piperidine-4-carboxylic acid
CID 63123499
1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123868
1-(4,4-dimethylazepane-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 65282949
1-(3-aminopiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63124373
3-methyl-1-(1,4-oxazepane-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63148214
1-(3-aminopyrrolidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 55176605
4-methyl-1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid
CID 55177373
4-methyl-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxylic acid
CID 68759041
4-propyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 63126397
3-methylpyrrolidine-1,3-dicarboxylic acid
CID 23111893
4-methyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxylic acid
CID 63123862
1-(2,2-difluoroacetyl)-4-methylpiperidine-4-carboxylic acid
CID 103513272

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid (CID 55177179) is 4-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid is CC1(C(=O)O)CCN(C(=O)N2CCCC2)CC1.
What is the InChIKey of 4-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is PXLCEOGHLSZAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-12(10(15)16)4-8-14(9-5-12)11(17)13-6-2-3-7-13/h2-9H2,1H3,(H,15,16).
What are the key properties of 4-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid?
4-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 55177179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).