4-methyl-1-(2-piperidin-3-ylacetyl)piperidine-2-carboxylic acid

C14H24N2O3 — CID 115867385

IUPAC4-methyl-1-(2-piperidin-3-ylacetyl)piperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)CC2CCCNC2)C(C(=O)O)C1
InChIInChI=1S/C14H24N2O3/c1-10-4-6-16(12(7-10)14(18)19)13(17)8-11-3-2-5-15-9-11/h10-12,15H,2-9H2,1H3,(H,18,19)
InChIKeyYYYRIBUKQKXSHG-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.09
Rot. Bonds3

About 4-methyl-1-(2-piperidin-3-ylacetyl)piperidine-2-carboxylic acid

4-methyl-1-(2-piperidin-3-ylacetyl)piperidine-2-carboxylic acid (PubChem CID 115867385) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-methyl-1-(2-piperidin-3-ylacetyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(2-piperidin-3-ylacetyl)piperidine-2-carboxylic acid
PubChem CID115867385
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name4-methyl-1-(2-piperidin-3-ylacetyl)piperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)CC2CCCNC2)C(C(=O)O)C1
InChIInChI=1S/C14H24N2O3/c1-10-4-6-16(12(7-10)14(18)19)13(17)8-11-3-2-5-15-9-11/h10-12,15H,2-9H2,1H3,(H,18,19)
InChIKeyYYYRIBUKQKXSHG-UHFFFAOYSA-N
XLogP1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-2-carboxylic acid
CID 115867435
1-(3-cyclopentylpropanoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421123
2-methyl-1-(2-pyrrolidin-3-ylacetyl)pyrrolidine-3-carboxylic acid
CID 79370825
2-(3-methylcyclohexyl)-1-(2-methylpiperazin-1-yl)ethanone
CID 119472160
4-methyl-1-[2-(oxolan-2-yl)acetyl]piperidine-2-carboxylic acid
CID 114421923
1-(3-aminopropanoyl)-4-methylpiperidine-2-carboxylic acid
CID 115867436
4-methyl-1-[2-(propylamino)acetyl]piperidine-2-carboxylic acid
CID 115867389
1-[2-(4-fluorophenyl)acetyl]-4-methylpiperidine-2-carboxylic acid
CID 114421350
1-hexanoyl-4-methylpiperidine-2-carboxylic acid
CID 114421742
ethyl 1-(2-piperidin-3-ylacetyl)piperidine-2-carboxylate
CID 62676158
4-methyl-1-(2-methylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
CID 114424626
1-(2-cyclohexylpyrrolidin-1-yl)-2-piperidin-3-ylethanone
CID 62675266

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-piperidin-3-ylacetyl)piperidine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-(2-piperidin-3-ylacetyl)piperidine-2-carboxylic acid (CID 115867385) is 4-methyl-1-(2-piperidin-3-ylacetyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(2-piperidin-3-ylacetyl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-(2-piperidin-3-ylacetyl)piperidine-2-carboxylic acid is CC1CCN(C(=O)CC2CCCNC2)C(C(=O)O)C1.
What is the InChIKey of 4-methyl-1-(2-piperidin-3-ylacetyl)piperidine-2-carboxylic acid?
The InChIKey is YYYRIBUKQKXSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10-4-6-16(12(7-10)14(18)19)13(17)8-11-3-2-5-15-9-11/h10-12,15H,2-9H2,1H3,(H,18,19).
What are the key properties of 4-methyl-1-(2-piperidin-3-ylacetyl)piperidine-2-carboxylic acid?
4-methyl-1-(2-piperidin-3-ylacetyl)piperidine-2-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-piperidin-3-ylacetyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 115867385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).