tert-butyl 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]piperidine-1-carboxylate

C17H26N4O4 — CID 55950542

IUPACtert-butyl 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)NCc2nc(C3CC3)no2)CC1
InChIInChI=1S/C17H26N4O4/c1-17(2,3)24-16(23)21-8-6-12(7-9-21)15(22)18-10-13-19-14(20-25-13)11-4-5-11/h11-12H,4-10H2,1-3H3,(H,18,22)
InChIKeyKLPWLFZCDFVIEC-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.21
Rot. Bonds4

About tert-butyl 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]piperidine-1-carboxylate

tert-butyl 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]piperidine-1-carboxylate (PubChem CID 55950542) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is tert-butyl 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]piperidine-1-carboxylate
PubChem CID55950542
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Nametert-butyl 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)NCc2nc(C3CC3)no2)CC1
InChIInChI=1S/C17H26N4O4/c1-17(2,3)24-16(23)21-8-6-12(7-9-21)15(22)18-10-13-19-14(20-25-13)11-4-5-11/h11-12H,4-10H2,1-3H3,(H,18,22)
InChIKeyKLPWLFZCDFVIEC-UHFFFAOYSA-N
XLogP2.21
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate
CID 90641592
tert-butyl 4-(pyridin-4-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 51218821
tert-butyl 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate;1-O-tert-butyl 4-O-ethyl piperidine-1,4-dicarboxylate;N'-hydroxycyclopropanecarboximidamide
CID 159134914
tert-butyl (3S,4S)-4-amino-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
CID 129494156
tert-butyl 4-[[(2R)-oxolan-2-yl]methylcarbamoyl]piperidine-1-carboxylate
CID 41242425
tert-butyl 4-(1,3-benzothiazol-2-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 38284389
tert-butyl (3R)-3-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-ethoxy-2-oxoethyl]pyrrolidine-1-carboxylate
CID 11003036
tert-butyl 4-[2-(dimethylamino)ethylcarbamoyl]piperidine-1-carboxylate
CID 57496371
tert-butyl 4-[[4-(diethylaminomethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate
CID 40707660
3-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]amino]methyl]benzoic acid
CID 172875964
N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 72927239
tert-butyl 4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]piperidine-1-carboxylate
CID 103729598

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]piperidine-1-carboxylate (CID 55950542) is tert-butyl 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)NCc2nc(C3CC3)no2)CC1.
What is the InChIKey of tert-butyl 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]piperidine-1-carboxylate?
The InChIKey is KLPWLFZCDFVIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-17(2,3)24-16(23)21-8-6-12(7-9-21)15(22)18-10-13-19-14(20-25-13)11-4-5-11/h11-12H,4-10H2,1-3H3,(H,18,22).
What are the key properties of tert-butyl 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]piperidine-1-carboxylate has a molecular weight of 350.42 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 55950542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).