2-[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid

C14H22N2O4 — CID 71207331

IUPAC2-[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid
SMILESCC(=O)N1CCCC1C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C14H22N2O4/c1-10(17)16-6-2-3-12(16)14(20)15-7-4-11(5-8-15)9-13(18)19/h11-12H,2-9H2,1H3,(H,18,19)
InChIKeyUSTJFJQOWADKRY-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.71
Rot. Bonds3

About 2-[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid

2-[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid (PubChem CID 71207331) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid
PubChem CID71207331
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid
SMILESCC(=O)N1CCCC1C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C14H22N2O4/c1-10(17)16-6-2-3-12(16)14(20)15-7-4-11(5-8-15)9-13(18)19/h11-12H,2-9H2,1H3,(H,18,19)
InChIKeyUSTJFJQOWADKRY-UHFFFAOYSA-N
XLogP0.71
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 119644088
2-[1-(1-propan-2-ylpyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid
CID 138029015
1-[2-(4-ethylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 53015941
2-[1-(cycloheptanecarbonyl)piperidin-4-yl]acetic acid
CID 79614731
1-[(2R)-2-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 124778110
1-[(2R)-2-(4-propan-2-yl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 143899528
2-[1-(3-methylbut-2-enoyl)piperidin-4-yl]acetic acid
CID 78980454
2-cyclopentyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 61175911
2-[1-(azocane-1-carbonyl)piperidin-4-yl]acetic acid
CID 79608844
1-[2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 42702614
2-[1-(2-aminocyclohexanecarbonyl)piperidin-4-yl]acetic acid
CID 79615083
2-[1-(1-ethylcyclobutanecarbonyl)piperidin-4-yl]acetic acid
CID 119178068

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid (CID 71207331) is 2-[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid is CC(=O)N1CCCC1C(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid?
The InChIKey is USTJFJQOWADKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-10(17)16-6-2-3-12(16)14(20)15-7-4-11(5-8-15)9-13(18)19/h11-12H,2-9H2,1H3,(H,18,19).
What are the key properties of 2-[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid?
2-[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid has a molecular weight of 282.34 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 71207331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).