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

C14H25N3O3 — CID 61020451

IUPAC1-[1-(2-acetamidoethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESCC(=O)NCCN1CCC(N2CCCC2C(=O)O)CC1
InChIInChI=1S/C14H25N3O3/c1-11(18)15-6-10-16-8-4-12(5-9-16)17-7-2-3-13(17)14(19)20/h12-13H,2-10H2,1H3,(H,15,18)(H,19,20)
InChIKeyHSAHMVOVVQUXBI-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.14
Rot. Bonds5

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

1-[1-(2-acetamidoethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid (PubChem CID 61020451) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[1-(2-acetamidoethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-acetamidoethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
PubChem CID61020451
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-[1-(2-acetamidoethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESCC(=O)NCCN1CCC(N2CCCC2C(=O)O)CC1
InChIInChI=1S/C14H25N3O3/c1-11(18)15-6-10-16-8-4-12(5-9-16)17-7-2-3-13(17)14(19)20/h12-13H,2-10H2,1H3,(H,15,18)(H,19,20)
InChIKeyHSAHMVOVVQUXBI-UHFFFAOYSA-N
XLogP0.14
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-heptylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
CID 61020567
(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
CID 51892046
1-[1-[3-(dimethylamino)propyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 114525886
1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61020449
1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 54906959
1-(1-methylazepan-4-yl)pyrrolidine-2-carboxylic acid
CID 65073070
1-[1-(2-ethylbutyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 65065192
1-(2-acetamidoethyl)piperidine-3-carboxylic acid
CID 43385924
(2S)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylic acid
CID 68690983
1-[1-[2-(oxolan-2-yl)ethyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 65161936
1-(2-acetamidoethyl)pyrrolidine-3-carboxylic acid
CID 22322840
(2S)-1-(1-methylpyrrolidin-3-yl)pyrrolidine-2-carboxylic acid
CID 83618259

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-acetamidoethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(2-acetamidoethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid (CID 61020451) is 1-[1-(2-acetamidoethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(2-acetamidoethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(2-acetamidoethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid is CC(=O)NCCN1CCC(N2CCCC2C(=O)O)CC1.
What is the InChIKey of 1-[1-(2-acetamidoethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is HSAHMVOVVQUXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-11(18)15-6-10-16-8-4-12(5-9-16)17-7-2-3-13(17)14(19)20/h12-13H,2-10H2,1H3,(H,15,18)(H,19,20).
What are the key properties of 1-[1-(2-acetamidoethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
1-[1-(2-acetamidoethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-acetamidoethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61020451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).