(2S)-2-cyclopentyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone

C21H27N3O2 — CID 99934036

IUPAC(2S)-2-cyclopentyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone
SMILESCc1nc(C2CCN(C(=O)[C@H](c3ccccc3)C3CCCC3)CC2)no1
InChIInChI=1S/C21H27N3O2/c1-15-22-20(23-26-15)18-11-13-24(14-12-18)21(25)19(17-9-5-6-10-17)16-7-3-2-4-8-16/h2-4,7-8,17-19H,5-6,9-14H2,1H3/t19-/m1/s1
InChIKeyKSAHPVLWUUPHAQ-LJQANCHMSA-N
MW353.47 g/mol
LogP4.06
Rot. Bonds4

About (2S)-2-cyclopentyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone

(2S)-2-cyclopentyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone (PubChem CID 99934036) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name(2S)-2-cyclopentyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone
PubChem CID99934036
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name(2S)-2-cyclopentyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone
SMILESCc1nc(C2CCN(C(=O)[C@H](c3ccccc3)C3CCCC3)CC2)no1
InChIInChI=1S/C21H27N3O2/c1-15-22-20(23-26-15)18-11-13-24(14-12-18)21(25)19(17-9-5-6-10-17)16-7-3-2-4-8-16/h2-4,7-8,17-19H,5-6,9-14H2,1H3/t19-/m1/s1
InChIKeyKSAHPVLWUUPHAQ-LJQANCHMSA-N
XLogP4.06
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-cyclopentyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone
CID 99934035
(2S)-2-(dimethylamino)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone
CID 95734813
2-cyclopropyl-2-phenyl-1-pyrrolidin-1-ylethanone
CID 110406993
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 146138655
1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-phenylpropan-1-one
CID 87053136
1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 95543173
3-cyclopentyl-5-methyl-1,2,4-oxadiazole
CID 90327686
1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 90649083
N-[cyclopropyl(phenyl)methyl]-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide
CID 75369068
1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2,2-diphenylethanone
CID 42760384
[(2R)-1,2-dimethylpiperidin-2-yl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95827488
(2R)-1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 95773697

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone?
The IUPAC name of (2S)-2-cyclopentyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone (CID 99934036) is (2S)-2-cyclopentyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for (2S)-2-cyclopentyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for (2S)-2-cyclopentyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone is Cc1nc(C2CCN(C(=O)[C@H](c3ccccc3)C3CCCC3)CC2)no1.
What is the InChIKey of (2S)-2-cyclopentyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone?
The InChIKey is KSAHPVLWUUPHAQ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15-22-20(23-26-15)18-11-13-24(14-12-18)21(25)19(17-9-5-6-10-17)16-7-3-2-4-8-16/h2-4,7-8,17-19H,5-6,9-14H2,1H3/t19-/m1/s1.
What are the key properties of (2S)-2-cyclopentyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone?
(2S)-2-cyclopentyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone has a molecular weight of 353.47 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 99934036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).