1-[1-(dimethylcarbamoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid

C13H23N3O3 — CID 61195156

IUPAC1-[1-(dimethylcarbamoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESCN(C)C(=O)N1CCC(N2CCCC2C(=O)O)CC1
InChIInChI=1S/C13H23N3O3/c1-14(2)13(19)15-8-5-10(6-9-15)16-7-3-4-11(16)12(17)18/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyOTWFPZGYYWTVNX-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.68
Rot. Bonds2

About 1-[1-(dimethylcarbamoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid

1-[1-(dimethylcarbamoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid (PubChem CID 61195156) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[1-(dimethylcarbamoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(dimethylcarbamoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
PubChem CID61195156
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-[1-(dimethylcarbamoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESCN(C)C(=O)N1CCC(N2CCCC2C(=O)O)CC1
InChIInChI=1S/C13H23N3O3/c1-14(2)13(19)15-8-5-10(6-9-15)16-7-3-4-11(16)12(17)18/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyOTWFPZGYYWTVNX-UHFFFAOYSA-N
XLogP0.68
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
CID 51892046
1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61019409
1-[1-[2-(propan-2-ylamino)acetyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61159988
1-[1-[3-(dimethylamino)propyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 114525886
1-(1-methylazepan-4-yl)pyrrolidine-2-carboxylic acid
CID 65073070
1-(4-propan-2-ylcyclohexyl)pyrrolidine-2-carboxylic acid
CID 65056479
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 2755963
1-[1-(2-ethylbutanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61020096
1-[1-(2-methylpentanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61020562
(2S)-1-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride
CID 141195485
1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61020449
2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid
CID 19990612

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylcarbamoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(dimethylcarbamoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid (CID 61195156) is 1-[1-(dimethylcarbamoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(dimethylcarbamoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(dimethylcarbamoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid is CN(C)C(=O)N1CCC(N2CCCC2C(=O)O)CC1.
What is the InChIKey of 1-[1-(dimethylcarbamoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is OTWFPZGYYWTVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-14(2)13(19)15-8-5-10(6-9-15)16-7-3-4-11(16)12(17)18/h10-11H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 1-[1-(dimethylcarbamoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
1-[1-(dimethylcarbamoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylcarbamoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61195156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).