2-[4-(3-ethoxypiperidine-1-carbonyl)triazol-1-yl]acetic acid

C12H18N4O4 — CID 66290626

IUPAC2-[4-(3-ethoxypiperidine-1-carbonyl)triazol-1-yl]acetic acid
SMILESCCOC1CCCN(C(=O)c2cn(CC(=O)O)nn2)C1
InChIInChI=1S/C12H18N4O4/c1-2-20-9-4-3-5-15(6-9)12(19)10-7-16(14-13-10)8-11(17)18/h7,9H,2-6,8H2,1H3,(H,17,18)
InChIKeyXMPWMFQGSBCKJH-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.00
Rot. Bonds5

About 2-[4-(3-ethoxypiperidine-1-carbonyl)triazol-1-yl]acetic acid

2-[4-(3-ethoxypiperidine-1-carbonyl)triazol-1-yl]acetic acid (PubChem CID 66290626) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[4-(3-ethoxypiperidine-1-carbonyl)triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-ethoxypiperidine-1-carbonyl)triazol-1-yl]acetic acid
PubChem CID66290626
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name2-[4-(3-ethoxypiperidine-1-carbonyl)triazol-1-yl]acetic acid
SMILESCCOC1CCCN(C(=O)c2cn(CC(=O)O)nn2)C1
InChIInChI=1S/C12H18N4O4/c1-2-20-9-4-3-5-15(6-9)12(19)10-7-16(14-13-10)8-11(17)18/h7,9H,2-6,8H2,1H3,(H,17,18)
InChIKeyXMPWMFQGSBCKJH-UHFFFAOYSA-N
XLogP0.00
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3-hydroxypiperidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66288752
2-[4-(azepane-1-carbonyl)triazol-1-yl]acetic acid
CID 66288731
2-[4-(4-hydroxypiperidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66289573
2-[4-(4-propylpiperidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66289815
2-[4-(2-ethylpyrrolidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66287918
2-[4-(4-acetylpiperazine-1-carbonyl)triazol-1-yl]acetic acid
CID 66290605
2-[4-[4-(methoxymethyl)piperidine-1-carbonyl]triazol-1-yl]acetic acid
CID 66289197
2-[4-(4,4-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66289817
2-[4-[(3-ethoxycyclobutyl)carbamoyl]triazol-1-yl]acetic acid
CID 114120646
2-[4-(2,3-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66289604
[1-(2-aminoethyl)imidazol-4-yl]-(3-ethoxypiperidin-1-yl)methanone
CID 107497963
(5-cyclopropyl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone
CID 47403831

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethoxypiperidine-1-carbonyl)triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(3-ethoxypiperidine-1-carbonyl)triazol-1-yl]acetic acid (CID 66290626) is 2-[4-(3-ethoxypiperidine-1-carbonyl)triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-ethoxypiperidine-1-carbonyl)triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(3-ethoxypiperidine-1-carbonyl)triazol-1-yl]acetic acid is CCOC1CCCN(C(=O)c2cn(CC(=O)O)nn2)C1.
What is the InChIKey of 2-[4-(3-ethoxypiperidine-1-carbonyl)triazol-1-yl]acetic acid?
The InChIKey is XMPWMFQGSBCKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-2-20-9-4-3-5-15(6-9)12(19)10-7-16(14-13-10)8-11(17)18/h7,9H,2-6,8H2,1H3,(H,17,18).
What are the key properties of 2-[4-(3-ethoxypiperidine-1-carbonyl)triazol-1-yl]acetic acid?
2-[4-(3-ethoxypiperidine-1-carbonyl)triazol-1-yl]acetic acid has a molecular weight of 282.30 g/mol, XLogP of 0.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethoxypiperidine-1-carbonyl)triazol-1-yl]acetic acid is sourced from PubChem (CID 66290626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).