[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone;hydrochloride

C16H21ClN4O3 — CID 120861983

IUPAC[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone;hydrochloride
SMILESCl.NC1(c2noc(C3CCN(C(=O)c4ccoc4)CC3)n2)CCC1
InChIInChI=1S/C16H20N4O3.ClH/c17-16(5-1-6-16)15-18-13(23-19-15)11-2-7-20(8-3-11)14(21)12-4-9-22-10-12;/h4,9-11H,1-3,5-8,17H2;1H
InChIKeyBDESDPHVKKZISP-UHFFFAOYSA-N
MW352.82 g/mol
LogP2.44
Rot. Bonds3

About [4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone;hydrochloride

[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone;hydrochloride (PubChem CID 120861983) has the molecular formula C16H21ClN4O3 and a molecular weight of 352.82 g/mol. Its IUPAC name is [4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone;hydrochloride
PubChem CID120861983
Molecular FormulaC16H21ClN4O3
Molecular Weight352.82 g/mol
Exact Mass352.13
IUPAC Name[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone;hydrochloride
SMILESCl.NC1(c2noc(C3CCN(C(=O)c4ccoc4)CC3)n2)CCC1
InChIInChI=1S/C16H20N4O3.ClH/c17-16(5-1-6-16)15-18-13(23-19-15)11-2-7-20(8-3-11)14(21)12-4-9-22-10-12;/h4,9-11H,1-3,5-8,17H2;1H
InChIKeyBDESDPHVKKZISP-UHFFFAOYSA-N
XLogP2.44
TPSA98.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-phenylmethanone
CID 120852061
1-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 120859549
1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 120853388
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide;hydrochloride
CID 120853046
furan-3-yl-[4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 136531197
[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 120856946
furan-3-yl-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 94207997
1-[5-(4-phenylcyclohexyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860751
1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 55091396
1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 62589652
1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopropan-1-amine;hydrochloride
CID 67390539
1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 120856198

Frequently Asked Questions

What is the IUPAC name of [4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone;hydrochloride?
The IUPAC name of [4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone;hydrochloride (CID 120861983) is [4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone;hydrochloride.
What is the SMILES notation for [4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone;hydrochloride?
The canonical SMILES for [4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone;hydrochloride is Cl.NC1(c2noc(C3CCN(C(=O)c4ccoc4)CC3)n2)CCC1.
What is the InChIKey of [4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone;hydrochloride?
The InChIKey is BDESDPHVKKZISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3.ClH/c17-16(5-1-6-16)15-18-13(23-19-15)11-2-7-20(8-3-11)14(21)12-4-9-22-10-12;/h4,9-11H,1-3,5-8,17H2;1H.
What are the key properties of [4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone;hydrochloride?
[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone;hydrochloride has a molecular weight of 352.82 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone;hydrochloride is sourced from PubChem (CID 120861983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).