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

C13H22N2O3 — CID 63719518

IUPAC4-methyl-1-(2-piperidin-4-ylacetyl)pyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)CC2CCNCC2)CC1C(=O)O
InChIInChI=1S/C13H22N2O3/c1-9-7-15(8-11(9)13(17)18)12(16)6-10-2-4-14-5-3-10/h9-11,14H,2-8H2,1H3,(H,17,18)
InChIKeyPIPUXOKSWNZLKA-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.56
Rot. Bonds3

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

4-methyl-1-(2-piperidin-4-ylacetyl)pyrrolidine-3-carboxylic acid (PubChem CID 63719518) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-methyl-1-(2-piperidin-4-ylacetyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(2-piperidin-4-ylacetyl)pyrrolidine-3-carboxylic acid
PubChem CID63719518
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name4-methyl-1-(2-piperidin-4-ylacetyl)pyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)CC2CCNCC2)CC1C(=O)O
InChIInChI=1S/C13H22N2O3/c1-9-7-15(8-11(9)13(17)18)12(16)6-10-2-4-14-5-3-10/h9-11,14H,2-8H2,1H3,(H,17,18)
InChIKeyPIPUXOKSWNZLKA-UHFFFAOYSA-N
XLogP0.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethylmorpholin-4-yl)-2-piperidin-4-ylethanone
CID 24711054
1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]-2-piperidin-4-ylethanone
CID 129394622
1-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]-2-piperidin-4-ylethanone
CID 129394621
1-[3-(hydroxymethyl)azetidin-1-yl]-2-piperidin-4-ylethanone
CID 107220425
1-[(3aS,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-2-piperidin-4-ylethanone
CID 129494454
(3S,4S)-1-[2-(1-aminocyclobutyl)acetyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114085644
(3S,4S)-1-(4,4-dimethylpentanoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 120953561
1-(3-amino-3-methylbutanoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 64678468
1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720456
(3S,4S)-1-(5,5-dimethylhexanoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 120952384
1-(2,4-dimethylpyrrolidin-1-yl)-2-piperidin-4-ylethanone
CID 115740592
(3S,4S)-4-methyl-1-[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 120952869

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-piperidin-4-ylacetyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-(2-piperidin-4-ylacetyl)pyrrolidine-3-carboxylic acid (CID 63719518) is 4-methyl-1-(2-piperidin-4-ylacetyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(2-piperidin-4-ylacetyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-(2-piperidin-4-ylacetyl)pyrrolidine-3-carboxylic acid is CC1CN(C(=O)CC2CCNCC2)CC1C(=O)O.
What is the InChIKey of 4-methyl-1-(2-piperidin-4-ylacetyl)pyrrolidine-3-carboxylic acid?
The InChIKey is PIPUXOKSWNZLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9-7-15(8-11(9)13(17)18)12(16)6-10-2-4-14-5-3-10/h9-11,14H,2-8H2,1H3,(H,17,18).
What are the key properties of 4-methyl-1-(2-piperidin-4-ylacetyl)pyrrolidine-3-carboxylic acid?
4-methyl-1-(2-piperidin-4-ylacetyl)pyrrolidine-3-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.56, 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-4-ylacetyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63719518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).