tert-butyl 4-(4-methoxycarbonyltriazol-1-yl)piperidine-1-carboxylate

C14H22N4O4 — CID 119030830

IUPACtert-butyl 4-(4-methoxycarbonyltriazol-1-yl)piperidine-1-carboxylate
SMILESCOC(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1
InChIInChI=1S/C14H22N4O4/c1-14(2,3)22-13(20)17-7-5-10(6-8-17)18-9-11(15-16-18)12(19)21-4/h9-10H,5-8H2,1-4H3
InChIKeyQNLNOEQZDSLLHC-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.64
Rot. Bonds2

About tert-butyl 4-(4-methoxycarbonyltriazol-1-yl)piperidine-1-carboxylate

tert-butyl 4-(4-methoxycarbonyltriazol-1-yl)piperidine-1-carboxylate (PubChem CID 119030830) has the molecular formula C14H22N4O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is tert-butyl 4-(4-methoxycarbonyltriazol-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-methoxycarbonyltriazol-1-yl)piperidine-1-carboxylate
PubChem CID119030830
Molecular FormulaC14H22N4O4
Molecular Weight310.35 g/mol
Exact Mass310.16
IUPAC Nametert-butyl 4-(4-methoxycarbonyltriazol-1-yl)piperidine-1-carboxylate
SMILESCOC(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1
InChIInChI=1S/C14H22N4O4/c1-14(2,3)22-13(20)17-7-5-10(6-8-17)18-9-11(15-16-18)12(19)21-4/h9-10H,5-8H2,1-4H3
InChIKeyQNLNOEQZDSLLHC-UHFFFAOYSA-N
XLogP1.64
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]triazole-4-carboxylic acid
CID 25219694
tert-butyl 4-(4-formyltriazol-1-yl)piperidine-1-carboxylate
CID 73013691
methyl 1-cyclohexyltriazole-4-carboxylate
CID 103689291
tert-butyl 3-[4-(aziridine-1-carbonyl)triazol-1-yl]piperidine-1-carboxylate
CID 103954440
methyl 1-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]triazole-4-carboxylate
CID 75456867
tert-butyl 3-(4-formyltriazol-1-yl)pyrrolidine-1-carboxylate
CID 121208717
tert-butyl 4-[4-(propan-2-ylamino)pyrazol-1-yl]piperidine-1-carboxylate
CID 104584235
tert-butyl 4-(3-amino-4-carbamoylpyrazol-1-yl)piperidine-1-carboxylate
CID 177209110
tert-butyl 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)triazol-1-yl]piperidine-1-carboxylate
CID 67324522
3-amino-6-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]triazol-4-yl]pyrazine-2-carboxylic acid
CID 163221928
methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate
CID 67460578
tert-butyl 4-(3-methoxycarbonylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[3-[[3-[(3-methoxy-3-oxoprop-1-en-2-yl)amino]-3-oxoprop-1-en-2-yl]carbamoyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 175991713

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-methoxycarbonyltriazol-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-methoxycarbonyltriazol-1-yl)piperidine-1-carboxylate (CID 119030830) is tert-butyl 4-(4-methoxycarbonyltriazol-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-methoxycarbonyltriazol-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-methoxycarbonyltriazol-1-yl)piperidine-1-carboxylate is COC(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1.
What is the InChIKey of tert-butyl 4-(4-methoxycarbonyltriazol-1-yl)piperidine-1-carboxylate?
The InChIKey is QNLNOEQZDSLLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4/c1-14(2,3)22-13(20)17-7-5-10(6-8-17)18-9-11(15-16-18)12(19)21-4/h9-10H,5-8H2,1-4H3.
What are the key properties of tert-butyl 4-(4-methoxycarbonyltriazol-1-yl)piperidine-1-carboxylate?
tert-butyl 4-(4-methoxycarbonyltriazol-1-yl)piperidine-1-carboxylate has a molecular weight of 310.35 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-methoxycarbonyltriazol-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 119030830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).