(2S)-2-cyclopentyloxy-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one

C19H31N3O3 — CID 95767613

IUPAC(2S)-2-cyclopentyloxy-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one
SMILESCC[C@H](OC1CCCC1)C(=O)N1CCC[C@H](c2noc(C(C)C)n2)C1
InChIInChI=1S/C19H31N3O3/c1-4-16(24-15-9-5-6-10-15)19(23)22-11-7-8-14(12-22)17-20-18(13(2)3)25-21-17/h13-16H,4-12H2,1-3H3/t14-,16-/m0/s1
InChIKeyZOETUVKCFZDLAY-HOCLYGCPSA-N
MW349.48 g/mol
LogP3.64
Rot. Bonds6

About (2S)-2-cyclopentyloxy-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one

(2S)-2-cyclopentyloxy-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one (PubChem CID 95767613) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is (2S)-2-cyclopentyloxy-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name(2S)-2-cyclopentyloxy-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one
PubChem CID95767613
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name(2S)-2-cyclopentyloxy-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one
SMILESCC[C@H](OC1CCCC1)C(=O)N1CCC[C@H](c2noc(C(C)C)n2)C1
InChIInChI=1S/C19H31N3O3/c1-4-16(24-15-9-5-6-10-15)19(23)22-11-7-8-14(12-22)17-20-18(13(2)3)25-21-17/h13-16H,4-12H2,1-3H3/t14-,16-/m0/s1
InChIKeyZOETUVKCFZDLAY-HOCLYGCPSA-N
XLogP3.64
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-2-cyclopentyloxy-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-phenyl-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one
CID 95734769
[(2S)-1-methylpiperidin-2-yl]-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95765312
(2S)-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-thiophen-3-ylpropan-1-one
CID 95773712
furan-2-yl-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734780
(3S)-1-[(2S)-2-cyclohexyloxybutanoyl]piperidine-3-carboxylic acid
CID 99623318
1-[3-(1-aminoethyl)piperidin-1-yl]-2-cyclohexyloxybutan-1-one;hydrochloride
CID 119595319
3,4-dihydro-2H-pyran-5-yl-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95760820
[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 95734898
[(2S)-2,3-dihydro-1-benzofuran-2-yl]-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734693
3-imidazol-1-yl-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
CID 95734905
1-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclopentyloxybutan-1-one
CID 119410162
(4S)-1-cyclopropyl-4-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95734723

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyloxy-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of (2S)-2-cyclopentyloxy-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one (CID 95767613) is (2S)-2-cyclopentyloxy-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for (2S)-2-cyclopentyloxy-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for (2S)-2-cyclopentyloxy-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one is CC[C@H](OC1CCCC1)C(=O)N1CCC[C@H](c2noc(C(C)C)n2)C1.
What is the InChIKey of (2S)-2-cyclopentyloxy-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one?
The InChIKey is ZOETUVKCFZDLAY-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-4-16(24-15-9-5-6-10-15)19(23)22-11-7-8-14(12-22)17-20-18(13(2)3)25-21-17/h13-16H,4-12H2,1-3H3/t14-,16-/m0/s1.
What are the key properties of (2S)-2-cyclopentyloxy-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one?
(2S)-2-cyclopentyloxy-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one has a molecular weight of 349.48 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyloxy-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 95767613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).