1-[(3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one

C20H25N3O2 — CID 99992695

IUPAC1-[(3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1
InChIInChI=1S/C20H25N3O2/c24-19(11-8-15-5-2-1-3-6-15)23-12-4-7-16(14-23)13-18-21-20(22-25-18)17-9-10-17/h1-3,5-6,16-17H,4,7-14H2/t16-/m1/s1
InChIKeyCFCUQYCBYNWLOZ-MRXNPFEDSA-N
MW339.44 g/mol
LogP3.36
Rot. Bonds6

About 1-[(3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one

1-[(3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 99992695) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[(3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one
PubChem CID99992695
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-[(3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1
InChIInChI=1S/C20H25N3O2/c24-19(11-8-15-5-2-1-3-6-15)23-12-4-7-16(14-23)13-18-21-20(22-25-18)17-9-10-17/h1-3,5-6,16-17H,4,7-14H2/t16-/m1/s1
InChIKeyCFCUQYCBYNWLOZ-MRXNPFEDSA-N
XLogP3.36
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one with MolForge

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Related Compounds

[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-phenylmethanone
CID 90641474
1-[3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 90641913
(5-bromofuran-2-yl)-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90641539
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 90641503
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide
CID 90641714
3-phenyl-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 124971365
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-thiophen-2-ylpiperidine-1-carboxamide
CID 86265895
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 166211937
1-[(3S)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 99992838
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 86265900
(5-chlorothiophen-2-yl)-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 86265873
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 90641715

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[(3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one (CID 99992695) is 1-[(3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[(3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[(3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1.
What is the InChIKey of 1-[(3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is CFCUQYCBYNWLOZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-19(11-8-15-5-2-1-3-6-15)23-12-4-7-16(14-23)13-18-21-20(22-25-18)17-9-10-17/h1-3,5-6,16-17H,4,7-14H2/t16-/m1/s1.
What are the key properties of 1-[(3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one?
1-[(3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 339.44 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 99992695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).