tert-butyl 1-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-4-carboxylate

C14H22N4O4S — CID 122131614

IUPACtert-butyl 1-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-4-carboxylate
SMILESCOc1nnc(NC(=O)N2CCC(C(=O)OC(C)(C)C)CC2)s1
InChIInChI=1S/C14H22N4O4S/c1-14(2,3)22-10(19)9-5-7-18(8-6-9)12(20)15-11-16-17-13(21-4)23-11/h9H,5-8H2,1-4H3,(H,15,16,20)
InChIKeyXSTJGCANASHCEP-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.13
Rot. Bonds3

About tert-butyl 1-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-4-carboxylate

tert-butyl 1-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-4-carboxylate (PubChem CID 122131614) has the molecular formula C14H22N4O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is tert-butyl 1-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-4-carboxylate
PubChem CID122131614
Molecular FormulaC14H22N4O4S
Molecular Weight342.42 g/mol
Exact Mass342.14
IUPAC Nametert-butyl 1-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-4-carboxylate
SMILESCOc1nnc(NC(=O)N2CCC(C(=O)OC(C)(C)C)CC2)s1
InChIInChI=1S/C14H22N4O4S/c1-14(2,3)22-10(19)9-5-7-18(8-6-9)12(20)15-11-16-17-13(21-4)23-11/h9H,5-8H2,1-4H3,(H,15,16,20)
InChIKeyXSTJGCANASHCEP-UHFFFAOYSA-N
XLogP2.13
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl (3R)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-3-carboxylate
CID 129380197
tert-butyl (3S)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-3-carboxylate
CID 129380196
1-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102928
(3S,8aR)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 125138453
tert-butyl (2S)-2-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoylamino]propanoate
CID 122131613
tert-butyl 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 56794868
tert-butyl 4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 60600812
3-cyclopentyl-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 154795632
tert-butyl (2S)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylate
CID 167923098
tert-butyl 1-[4-(2-methoxy-2-oxoacetyl)piperazin-1-yl]piperidine-4-carboxylate
CID 140984746
tert-butyl N-[1-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidin-4-yl]carbamate
CID 47716505
bicyclo[3.1.0]hexa-1(6),2,4-triene;tert-butyl 4-[(5-acetamido-1,3,4-thiadiazol-2-yl)oxy]piperidine-1-carboxylate
CID 121256412

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-4-carboxylate?
The IUPAC name of tert-butyl 1-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-4-carboxylate (CID 122131614) is tert-butyl 1-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-4-carboxylate.
What is the SMILES notation for tert-butyl 1-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-4-carboxylate?
The canonical SMILES for tert-butyl 1-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-4-carboxylate is COc1nnc(NC(=O)N2CCC(C(=O)OC(C)(C)C)CC2)s1.
What is the InChIKey of tert-butyl 1-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-4-carboxylate?
The InChIKey is XSTJGCANASHCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4S/c1-14(2,3)22-10(19)9-5-7-18(8-6-9)12(20)15-11-16-17-13(21-4)23-11/h9H,5-8H2,1-4H3,(H,15,16,20).
What are the key properties of tert-butyl 1-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-4-carboxylate?
tert-butyl 1-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-4-carboxylate has a molecular weight of 342.42 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-4-carboxylate is sourced from PubChem (CID 122131614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).