2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidin-4-yl]acetic acid

C12H18N4O4 — CID 106404747

IUPAC2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)NCCc2ncon2)CC1
InChIInChI=1S/C12H18N4O4/c17-11(18)7-9-2-5-16(6-3-9)12(19)13-4-1-10-14-8-20-15-10/h8-9H,1-7H2,(H,13,19)(H,17,18)
InChIKeyNVSZFTFJFHKSEY-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.51
Rot. Bonds5

About 2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidin-4-yl]acetic acid

2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidin-4-yl]acetic acid (PubChem CID 106404747) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidin-4-yl]acetic acid
PubChem CID106404747
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)NCCc2ncon2)CC1
InChIInChI=1S/C12H18N4O4/c17-11(18)7-9-2-5-16(6-3-9)12(19)13-4-1-10-14-8-20-15-10/h8-9H,1-7H2,(H,13,19)(H,17,18)
InChIKeyNVSZFTFJFHKSEY-UHFFFAOYSA-N
XLogP0.51
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyrrolidin-3-yl]acetic acid
CID 80689165
2-[1-(propylcarbamoyl)piperidin-4-yl]acetic acid
CID 29080141
4-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
CID 106404318
2-[1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]piperidin-4-yl]acetic acid
CID 79609464
1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 106403250
2-[1-(cyclopropylmethylcarbamoyl)piperidin-4-yl]acetic acid
CID 79608907
2-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
CID 106404494
2-[1-(benzylcarbamoyl)piperidin-4-yl]acetic acid
CID 79608761
2,3-dimethyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-4-oxobut-2-enoic acid
CID 106394755
2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-4-yl]acetic acid
CID 106005309
2-[1-(3-methoxypropylcarbamoyl)piperidin-4-yl]acetic acid
CID 79608847
2-[1-[(2-methylpyrazol-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid
CID 79605623

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidin-4-yl]acetic acid (CID 106404747) is 2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)NCCc2ncon2)CC1.
What is the InChIKey of 2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidin-4-yl]acetic acid?
The InChIKey is NVSZFTFJFHKSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c17-11(18)7-9-2-5-16(6-3-9)12(19)13-4-1-10-14-8-20-15-10/h8-9H,1-7H2,(H,13,19)(H,17,18).
What are the key properties of 2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidin-4-yl]acetic acid?
2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidin-4-yl]acetic acid has a molecular weight of 282.30 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 106404747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).