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

C12H20N2O3 — CID 68759041

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

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

4-methyl-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxylic acid (PubChem CID 68759041) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-methyl-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxylic acid
PubChem CID68759041
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name4-methyl-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxylic acid
SMILESCC1(C(=O)N2CCCC2)CCN(C(=O)O)CC1
InChIInChI=1S/C12H20N2O3/c1-12(10(15)13-6-2-3-7-13)4-8-14(9-5-12)11(16)17/h2-9H2,1H3,(H,16,17)
InChIKeyQFUOTYNGRABFQK-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

azepan-1-yl-(4-methylpiperidin-4-yl)methanone
CID 63121497
4-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 55177179
(3R)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid
CID 81119321
4-methyl-1-(1-methylcyclopentanecarbonyl)piperidine-4-carbothioamide
CID 107161141
4-hydroxy-4-methylpiperidine-1-carboxylic acid
CID 22507740
3-methylpyrrolidine-1,3-dicarboxylic acid
CID 23111893
iodomethane;piperidine-1-carboxylic acid
CID 159672368
4-methyl-4-sulfanylpiperidine-1-carboxylic acid
CID 134329001
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methylcyclopentyl)methanone
CID 78917556
azepan-1-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
CID 119669541
oxalic acid;piperidine-1-carboxylic acid
CID 158853542
azetidin-1-yl-(3-methylpyrrolidin-3-yl)methanone
CID 130547014

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-methyl-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxylic acid (CID 68759041) is 4-methyl-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-methyl-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-methyl-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxylic acid is CC1(C(=O)N2CCCC2)CCN(C(=O)O)CC1.
What is the InChIKey of 4-methyl-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxylic acid?
The InChIKey is QFUOTYNGRABFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-12(10(15)13-6-2-3-7-13)4-8-14(9-5-12)11(16)17/h2-9H2,1H3,(H,16,17).
What are the key properties of 4-methyl-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxylic acid?
4-methyl-4-(pyrrolidine-1-carbonyl)piperidine-1-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-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 68759041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).