1-(1-methylpyrrolidine-2-carbonyl)piperidine-4-carboxylic acid

C12H20N2O3 — CID 110837392

IUPAC1-(1-methylpyrrolidine-2-carbonyl)piperidine-4-carboxylic acid
SMILESCN1CCCC1C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H20N2O3/c1-13-6-2-3-10(13)11(15)14-7-4-9(5-8-14)12(16)17/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeySKJZSMYQNWANAO-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.40
Rot. Bonds2

About 1-(1-methylpyrrolidine-2-carbonyl)piperidine-4-carboxylic acid

1-(1-methylpyrrolidine-2-carbonyl)piperidine-4-carboxylic acid (PubChem CID 110837392) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(1-methylpyrrolidine-2-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-methylpyrrolidine-2-carbonyl)piperidine-4-carboxylic acid
PubChem CID110837392
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-(1-methylpyrrolidine-2-carbonyl)piperidine-4-carboxylic acid
SMILESCN1CCCC1C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H20N2O3/c1-13-6-2-3-10(13)11(15)14-7-4-9(5-8-14)12(16)17/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeySKJZSMYQNWANAO-UHFFFAOYSA-N
XLogP0.40
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-(1-methylpyrrolidin-2-yl)methanone
CID 110856335
1-(1-methylpyrrolidine-2-carbonyl)piperidine-3-carboxylic acid
CID 110837391
(2S)-1-methylpyrrolidine-2-carboxylic acid
CID 158548617
1-methylpyrrolidine-2-carboxylic acid;hydrate
CID 2849411
(4-tert-butylpiperidin-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone
CID 58394627
[(2S)-1-methylpyrrolidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 131915676
hydron;1-methylpiperidine-2-carboxylic acid;chloride
CID 44558462
4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carbaldehyde
CID 110850171
(3-fluoroazetidin-1-yl)-(1-methylpyrrolidin-2-yl)methanone
CID 131086250
cyclopentanecarboxylic acid;methyl (2R)-1-methylpyrrolidine-2-carboxylate
CID 165072023
cyclobutyl-[4-(1-methylazepane-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 131912157
(2R)-1-methylpiperidine-2-carboxylic acid;1-[(2R)-1-methylpiperidin-2-yl]ethanone
CID 160589871

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrolidine-2-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(1-methylpyrrolidine-2-carbonyl)piperidine-4-carboxylic acid (CID 110837392) is 1-(1-methylpyrrolidine-2-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1-methylpyrrolidine-2-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(1-methylpyrrolidine-2-carbonyl)piperidine-4-carboxylic acid is CN1CCCC1C(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(1-methylpyrrolidine-2-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is SKJZSMYQNWANAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-13-6-2-3-10(13)11(15)14-7-4-9(5-8-14)12(16)17/h9-10H,2-8H2,1H3,(H,16,17).
What are the key properties of 1-(1-methylpyrrolidine-2-carbonyl)piperidine-4-carboxylic acid?
1-(1-methylpyrrolidine-2-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrolidine-2-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 110837392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).