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

C15H22N4O4 — CID 91783670

IUPACmethyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylcarbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCCC1C(=O)N(C)Cc1noc(C2CC2)n1
InChIInChI=1S/C15H22N4O4/c1-18(9-12-16-13(23-17-12)10-6-7-10)14(20)11-5-3-4-8-19(11)15(21)22-2/h10-11H,3-9H2,1-2H3
InChIKeyOGTAJKBOYDMDAK-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.53
Rot. Bonds4

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

methyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylcarbamoyl]piperidine-1-carboxylate (PubChem CID 91783670) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is methyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylcarbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylcarbamoyl]piperidine-1-carboxylate
PubChem CID91783670
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Namemethyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylcarbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCCC1C(=O)N(C)Cc1noc(C2CC2)n1
InChIInChI=1S/C15H22N4O4/c1-18(9-12-16-13(23-17-12)10-6-7-10)14(20)11-5-3-4-8-19(11)15(21)22-2/h10-11H,3-9H2,1-2H3
InChIKeyOGTAJKBOYDMDAK-UHFFFAOYSA-N
XLogP1.53
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylate
CID 78969711
1-(cyclohexanecarbonyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 56760272
methyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate
CID 62010684
methyl (2S)-2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]carbamoyl]piperidine-1-carboxylate
CID 97188414
(2R)-1-butanoyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidine-2-carboxamide
CID 95614743
methyl (2S)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]piperidine-1-carboxylate
CID 97206029
1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-3-[2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]ethyl]urea
CID 126448520
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxamide
CID 138002746
1-benzyl-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylpiperidine-2-carboxamide
CID 91830712
methyl (2R)-2-(dipropylcarbamoyl)piperidine-1-carboxylate
CID 102330821
methyl 4-[[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]benzoate
CID 167922337
N-methyl-1-methylsulfonyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 70708816

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylcarbamoyl]piperidine-1-carboxylate?
The IUPAC name of methyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylcarbamoyl]piperidine-1-carboxylate (CID 91783670) is methyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylcarbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylcarbamoyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylcarbamoyl]piperidine-1-carboxylate is COC(=O)N1CCCCC1C(=O)N(C)Cc1noc(C2CC2)n1.
What is the InChIKey of methyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylcarbamoyl]piperidine-1-carboxylate?
The InChIKey is OGTAJKBOYDMDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-18(9-12-16-13(23-17-12)10-6-7-10)14(20)11-5-3-4-8-19(11)15(21)22-2/h10-11H,3-9H2,1-2H3.
What are the key properties of methyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylcarbamoyl]piperidine-1-carboxylate?
methyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylcarbamoyl]piperidine-1-carboxylate has a molecular weight of 322.37 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylcarbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 91783670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).