3-methyl-1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid

C15H27N3O3 — CID 63136898

IUPAC3-methyl-1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
SMILESCC(CN1CCCC1)NC(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C15H27N3O3/c1-12(10-17-7-3-4-8-17)16-14(21)18-9-5-6-15(2,11-18)13(19)20/h12H,3-11H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyZQQSJZWNEBWOIM-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.37
Rot. Bonds4

About 3-methyl-1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid

3-methyl-1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 63136898) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-methyl-1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID63136898
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name3-methyl-1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
SMILESCC(CN1CCCC1)NC(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C15H27N3O3/c1-12(10-17-7-3-4-8-17)16-14(21)18-9-5-6-15(2,11-18)13(19)20/h12H,3-11H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyZQQSJZWNEBWOIM-UHFFFAOYSA-N
XLogP1.37
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 63136058
3-methyl-1-(1-methylsulfonylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 64643431
N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-1-carboxamide
CID 115590525
N-(1-piperidin-1-ylpropan-2-yl)azepane-1-carboxamide
CID 115583840
N-(1-piperidin-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 115579823
N-[1-(azepan-1-yl)propan-2-yl]-4-hydroxy-4-methylazepane-1-carboxamide
CID 122144357
3-methyl-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 63137697
3-methyl-1-(2-methylbutylcarbamoyl)piperidine-3-carboxylic acid
CID 55165506
4,4-dimethyl-N-[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]azepane-1-carboxamide
CID 95934326
3-methyl-1-(2-pyrrolidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 55166161
1-(2,2-difluoroethyl)-3-methylpiperidine-3-carboxylic acid
CID 63137075
1-(3-ethylpentan-3-ylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 65042596

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid (CID 63136898) is 3-methyl-1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid is CC(CN1CCCC1)NC(=O)N1CCCC(C)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is ZQQSJZWNEBWOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-12(10-17-7-3-4-8-17)16-14(21)18-9-5-6-15(2,11-18)13(19)20/h12H,3-11H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 3-methyl-1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid?
3-methyl-1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-pyrrolidin-1-ylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 63136898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).