ethyl 1-[2-(triazol-1-yl)acetyl]piperidine-4-carboxylate

C12H18N4O3 — CID 79806253

IUPACethyl 1-[2-(triazol-1-yl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cn2ccnn2)CC1
InChIInChI=1S/C12H18N4O3/c1-2-19-12(18)10-3-6-15(7-4-10)11(17)9-16-8-5-13-14-16/h5,8,10H,2-4,6-7,9H2,1H3
InChIKeyDHDNWLHPKVHMKI-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.08
Rot. Bonds4

About ethyl 1-[2-(triazol-1-yl)acetyl]piperidine-4-carboxylate

ethyl 1-[2-(triazol-1-yl)acetyl]piperidine-4-carboxylate (PubChem CID 79806253) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 1-[2-(triazol-1-yl)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(triazol-1-yl)acetyl]piperidine-4-carboxylate
PubChem CID79806253
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Nameethyl 1-[2-(triazol-1-yl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cn2ccnn2)CC1
InChIInChI=1S/C12H18N4O3/c1-2-19-12(18)10-3-6-15(7-4-10)11(17)9-16-8-5-13-14-16/h5,8,10H,2-4,6-7,9H2,1H3
InChIKeyDHDNWLHPKVHMKI-UHFFFAOYSA-N
XLogP0.08
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]piperidine-4-carboxylate
CID 61118509
1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
CID 127415975
ethyl 1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-4-carboxylate
CID 79322433
ethyl 1-(3-amino-3-methylbutanoyl)piperidine-4-carboxylate
CID 64685754
ethyl 1-(2-morpholin-4-ylacetyl)piperidine-4-carboxylate
CID 54814212
ethyl 1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylate
CID 78791788
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
CID 58295851
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
ethyl 1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylate
CID 43406985
ethyl 1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylate
CID 122246383
ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate
CID 43086020
ethyl 1-(methylcarbamoyl)piperidine-4-carboxylate
CID 13106482

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(triazol-1-yl)acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(triazol-1-yl)acetyl]piperidine-4-carboxylate (CID 79806253) is ethyl 1-[2-(triazol-1-yl)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(triazol-1-yl)acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(triazol-1-yl)acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)Cn2ccnn2)CC1.
What is the InChIKey of ethyl 1-[2-(triazol-1-yl)acetyl]piperidine-4-carboxylate?
The InChIKey is DHDNWLHPKVHMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-2-19-12(18)10-3-6-15(7-4-10)11(17)9-16-8-5-13-14-16/h5,8,10H,2-4,6-7,9H2,1H3.
What are the key properties of ethyl 1-[2-(triazol-1-yl)acetyl]piperidine-4-carboxylate?
ethyl 1-[2-(triazol-1-yl)acetyl]piperidine-4-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 0.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(triazol-1-yl)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 79806253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).