1-[4-[3-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-3-carboxamide

C20H24N4O3 — CID 167927680

IUPAC1-[4-[3-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(-c3nc([C@@H]4C[C@H]5CC[C@@H]4O5)no3)cc2)C1
InChIInChI=1S/C20H24N4O3/c21-18(25)13-2-1-9-24(11-13)14-5-3-12(4-6-14)20-22-19(23-27-20)16-10-15-7-8-17(16)26-15/h3-6,13,15-17H,1-2,7-11H2,(H2,21,25)/t13?,15-,16-,17+/m1/s1
InChIKeyLIEVZSLGTQZOEG-ZCJOQKPTSA-N
MW368.44 g/mol
LogP2.47
Rot. Bonds4

About 1-[4-[3-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-3-carboxamide

1-[4-[3-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-3-carboxamide (PubChem CID 167927680) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-[4-[3-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[3-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-3-carboxamide
PubChem CID167927680
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name1-[4-[3-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(-c3nc([C@@H]4C[C@H]5CC[C@@H]4O5)no3)cc2)C1
InChIInChI=1S/C20H24N4O3/c21-18(25)13-2-1-9-24(11-13)14-5-3-12(4-6-14)20-22-19(23-27-20)16-10-15-7-8-17(16)26-15/h3-6,13,15-17H,1-2,7-11H2,(H2,21,25)/t13?,15-,16-,17+/m1/s1
InChIKeyLIEVZSLGTQZOEG-ZCJOQKPTSA-N
XLogP2.47
TPSA94.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[3-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-3-carboxamide with MolForge

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Related Compounds

2-amino-4-[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136872268
1-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-3-carboxamide
CID 126827300
1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide
CID 43188147
3-[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136928419
(3R)-1-(4-nitrophenyl)piperidine-3-carboxamide
CID 33114657
3-[(3R)-oxolan-3-yl]-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
CID 97455442
(3R)-1-[4-[(pyrimidin-2-ylamino)methyl]phenyl]piperidine-3-carboxamide
CID 94173719
1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide
CID 117008299
1-[4-[cyclohexyl(cyclopropyl)carbamoyl]phenyl]piperidine-3-carboxamide
CID 56799433
(3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7353330
(3S)-1-[4-(cycloheptylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 94467987
6-methyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-3-carboxamide
CID 91651046

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[4-[3-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-3-carboxamide (CID 167927680) is 1-[4-[3-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-[3-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[4-[3-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-3-carboxamide is NC(=O)C1CCCN(c2ccc(-c3nc([C@@H]4C[C@H]5CC[C@@H]4O5)no3)cc2)C1.
What is the InChIKey of 1-[4-[3-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-3-carboxamide?
The InChIKey is LIEVZSLGTQZOEG-ZCJOQKPTSA-N. The full InChI is InChI=1S/C20H24N4O3/c21-18(25)13-2-1-9-24(11-13)14-5-3-12(4-6-14)20-22-19(23-27-20)16-10-15-7-8-17(16)26-15/h3-6,13,15-17H,1-2,7-11H2,(H2,21,25)/t13?,15-,16-,17+/m1/s1.
What are the key properties of 1-[4-[3-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-3-carboxamide?
1-[4-[3-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 167927680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).