[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-3-methylpiperidin-1-yl]-phenylmethanone

C19H24N4O2 — CID 120864606

IUPAC[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-3-methylpiperidin-1-yl]-phenylmethanone
SMILESCC1(c2nc(C3(N)CCC3)no2)CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C19H24N4O2/c1-18(17-21-16(22-25-17)19(20)10-5-11-19)9-6-12-23(13-18)15(24)14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-13,20H2,1H3
InChIKeyMVZZAMGSBKYOBL-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.60
Rot. Bonds3

About [3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-3-methylpiperidin-1-yl]-phenylmethanone

[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-3-methylpiperidin-1-yl]-phenylmethanone (PubChem CID 120864606) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-3-methylpiperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-3-methylpiperidin-1-yl]-phenylmethanone
PubChem CID120864606
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-3-methylpiperidin-1-yl]-phenylmethanone
SMILESCC1(c2nc(C3(N)CCC3)no2)CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C19H24N4O2/c1-18(17-21-16(22-25-17)19(20)10-5-11-19)9-6-12-23(13-18)15(24)14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-13,20H2,1H3
InChIKeyMVZZAMGSBKYOBL-UHFFFAOYSA-N
XLogP2.60
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-phenylmethanone
CID 120852061
1-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 106828746
1-[5-(2-methyl-3,4-dihydro-1H-naphthalen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120864711
[3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-phenylmethanone
CID 110272344
[3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 110257094
[3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110256988
2-hydroxy-1-[(3S)-3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 95841858
[3-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]-3-methylpiperidin-1-yl]-phenylmethanone
CID 110100245
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride
CID 120864077
N-(2-amino-2-methylpropyl)-1-benzoyl-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119628747
[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 120856946
1-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione
CID 72847879

Frequently Asked Questions

What is the IUPAC name of [3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-3-methylpiperidin-1-yl]-phenylmethanone?
The IUPAC name of [3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-3-methylpiperidin-1-yl]-phenylmethanone (CID 120864606) is [3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-3-methylpiperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-3-methylpiperidin-1-yl]-phenylmethanone?
The canonical SMILES for [3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-3-methylpiperidin-1-yl]-phenylmethanone is CC1(c2nc(C3(N)CCC3)no2)CCCN(C(=O)c2ccccc2)C1.
What is the InChIKey of [3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-3-methylpiperidin-1-yl]-phenylmethanone?
The InChIKey is MVZZAMGSBKYOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-18(17-21-16(22-25-17)19(20)10-5-11-19)9-6-12-23(13-18)15(24)14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-13,20H2,1H3.
What are the key properties of [3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-3-methylpiperidin-1-yl]-phenylmethanone?
[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-3-methylpiperidin-1-yl]-phenylmethanone has a molecular weight of 340.43 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-3-methylpiperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 120864606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).