3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)piperidine-1-carboxamide

C19H25N5O2 — CID 120862894

IUPAC3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCCC(c3nc(C4(N)CCC4)no3)C2)c1
InChIInChI=1S/C19H25N5O2/c1-13-5-2-7-15(11-13)21-18(25)24-10-3-6-14(12-24)16-22-17(23-26-16)19(20)8-4-9-19/h2,5,7,11,14H,3-4,6,8-10,12,20H2,1H3,(H,21,25)
InChIKeyPYFFYUAZBNJDQE-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.13
Rot. Bonds3

About 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)piperidine-1-carboxamide

3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)piperidine-1-carboxamide (PubChem CID 120862894) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)piperidine-1-carboxamide
PubChem CID120862894
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCCC(c3nc(C4(N)CCC4)no3)C2)c1
InChIInChI=1S/C19H25N5O2/c1-13-5-2-7-15(11-13)21-18(25)24-10-3-6-14(12-24)16-22-17(23-26-16)19(20)8-4-9-19/h2,5,7,11,14H,3-4,6,8-10,12,20H2,1H3,(H,21,25)
InChIKeyPYFFYUAZBNJDQE-UHFFFAOYSA-N
XLogP3.13
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide;hydrochloride
CID 120853046
[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 120856946
(3R)-N-(3-ethylphenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7297536
N-(3-methoxyphenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 42760777
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride
CID 120853614
1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 120856198
(3R)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide
CID 7396645
(3S)-N-(3-chloro-4-fluorophenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7356807
1-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 120862036
(3S)-N-(3-methylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 30863829
3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 91905133
(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 51458679

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)piperidine-1-carboxamide (CID 120862894) is 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)piperidine-1-carboxamide is Cc1cccc(NC(=O)N2CCCC(c3nc(C4(N)CCC4)no3)C2)c1.
What is the InChIKey of 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)piperidine-1-carboxamide?
The InChIKey is PYFFYUAZBNJDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-13-5-2-7-15(11-13)21-18(25)24-10-3-6-14(12-24)16-22-17(23-26-16)19(20)8-4-9-19/h2,5,7,11,14H,3-4,6,8-10,12,20H2,1H3,(H,21,25).
What are the key properties of 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)piperidine-1-carboxamide?
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)piperidine-1-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 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]-N-(3-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 120862894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).