methyl N-[3-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]cyclobutyl]carbamate

C20H23ClN4O4 — CID 156864335

IUPACmethyl N-[3-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]cyclobutyl]carbamate
SMILESCOC(=O)NC1CC(C(=O)N2CCC(c3nc(-c4ccc(Cl)cc4)no3)CC2)C1
InChIInChI=1S/C20H23ClN4O4/c1-28-20(27)22-16-10-14(11-16)19(26)25-8-6-13(7-9-25)18-23-17(24-29-18)12-2-4-15(21)5-3-12/h2-5,13-14,16H,6-11H2,1H3,(H,22,27)
InChIKeyVPGGOPIMKBUKBJ-UHFFFAOYSA-N
MW418.88 g/mol
LogP3.23
Rot. Bonds4

About methyl N-[3-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]cyclobutyl]carbamate

methyl N-[3-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]cyclobutyl]carbamate (PubChem CID 156864335) has the molecular formula C20H23ClN4O4 and a molecular weight of 418.88 g/mol. Its IUPAC name is methyl N-[3-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]cyclobutyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]cyclobutyl]carbamate
PubChem CID156864335
Molecular FormulaC20H23ClN4O4
Molecular Weight418.88 g/mol
Exact Mass418.14
IUPAC Namemethyl N-[3-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]cyclobutyl]carbamate
SMILESCOC(=O)NC1CC(C(=O)N2CCC(c3nc(-c4ccc(Cl)cc4)no3)CC2)C1
InChIInChI=1S/C20H23ClN4O4/c1-28-20(27)22-16-10-14(11-16)19(26)25-8-6-13(7-9-25)18-23-17(24-29-18)12-2-4-15(21)5-3-12/h2-5,13-14,16H,6-11H2,1H3,(H,22,27)
InChIKeyVPGGOPIMKBUKBJ-UHFFFAOYSA-N
XLogP3.23
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl N-[3-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]cyclobutyl]carbamate with MolForge

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Related Compounds

[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopropylmethanone
CID 3294167
[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2,4-dichlorophenyl)methanone
CID 42760543
1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 812457
[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethylphenyl)methanone
CID 4668115
1-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]hexan-1-one
CID 5149726
[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopentylmethanone
CID 4538482
[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 91946535
1-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 5042134
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,5-dimethylphenyl)piperidine-1-carboxamide
CID 50769457
cyclopropyl-[4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 812728
N-(2-bromophenyl)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 42760920
1-[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 42760505

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]cyclobutyl]carbamate?
The IUPAC name of methyl N-[3-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]cyclobutyl]carbamate (CID 156864335) is methyl N-[3-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]cyclobutyl]carbamate.
What is the SMILES notation for methyl N-[3-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]cyclobutyl]carbamate?
The canonical SMILES for methyl N-[3-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]cyclobutyl]carbamate is COC(=O)NC1CC(C(=O)N2CCC(c3nc(-c4ccc(Cl)cc4)no3)CC2)C1.
What is the InChIKey of methyl N-[3-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]cyclobutyl]carbamate?
The InChIKey is VPGGOPIMKBUKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O4/c1-28-20(27)22-16-10-14(11-16)19(26)25-8-6-13(7-9-25)18-23-17(24-29-18)12-2-4-15(21)5-3-12/h2-5,13-14,16H,6-11H2,1H3,(H,22,27).
What are the key properties of methyl N-[3-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]cyclobutyl]carbamate?
methyl N-[3-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]cyclobutyl]carbamate has a molecular weight of 418.88 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]cyclobutyl]carbamate is sourced from PubChem (CID 156864335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).