(3R)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one

C23H34N2O3 — CID 158202581

IUPAC(3R)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one
SMILESC[C@H](CC(=O)c1cc(C2CC2)on1)C1CCN(C(=O)CC2CCCCC2)CC1
InChIInChI=1S/C23H34N2O3/c1-16(13-21(26)20-15-22(28-24-20)19-7-8-19)18-9-11-25(12-10-18)23(27)14-17-5-3-2-4-6-17/h15-19H,2-14H2,1H3/t16-/m1/s1
InChIKeyLYBLPGUVHFRGCJ-MRXNPFEDSA-N
MW386.54 g/mol
LogP4.97
Rot. Bonds7

About (3R)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one

(3R)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one (PubChem CID 158202581) has the molecular formula C23H34N2O3 and a molecular weight of 386.54 g/mol. Its IUPAC name is (3R)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one.

Molecular Properties

Compound Name(3R)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one
PubChem CID158202581
Molecular FormulaC23H34N2O3
Molecular Weight386.54 g/mol
Exact Mass386.26
IUPAC Name(3R)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one
SMILESC[C@H](CC(=O)c1cc(C2CC2)on1)C1CCN(C(=O)CC2CCCCC2)CC1
InChIInChI=1S/C23H34N2O3/c1-16(13-21(26)20-15-22(28-24-20)19-7-8-19)18-9-11-25(12-10-18)23(27)14-17-5-3-2-4-6-17/h15-19H,2-14H2,1H3/t16-/m1/s1
InChIKeyLYBLPGUVHFRGCJ-MRXNPFEDSA-N
XLogP4.97
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one with MolForge

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Related Compounds

3-[1-[(3R)-3-aminobutanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one
CID 158638459
2-cyclohexyl-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 155469719
3-[1-[(2R)-2-amino-3-(3H-inden-1-yl)propanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one
CID 157066593
1-[4-(1-bromoethyl)piperidin-1-yl]-2-cycloheptylethanone
CID 106839467
2-cyclohexyl-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone
CID 112537559
N-[1-(2-aminoacetyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 168509992
1-(5-cyclohexyl-1,2-oxazol-3-yl)ethanone
CID 115094361
(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 90505051
N-[1-(2-aminoacetyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 171338035
(5-cyclopropyl-1,2-oxazol-3-yl)-(4-methylsulfonylpiperidin-1-yl)methanone
CID 71805699
(5-cyclopropyl-1,2-oxazol-3-yl)-(4,4-difluoropiperidin-1-yl)methanone
CID 121184581
2-cyclohexyl-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 22585642

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one?
The IUPAC name of (3R)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one (CID 158202581) is (3R)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one.
What is the SMILES notation for (3R)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one?
The canonical SMILES for (3R)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one is C[C@H](CC(=O)c1cc(C2CC2)on1)C1CCN(C(=O)CC2CCCCC2)CC1.
What is the InChIKey of (3R)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one?
The InChIKey is LYBLPGUVHFRGCJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H34N2O3/c1-16(13-21(26)20-15-22(28-24-20)19-7-8-19)18-9-11-25(12-10-18)23(27)14-17-5-3-2-4-6-17/h15-19H,2-14H2,1H3/t16-/m1/s1.
What are the key properties of (3R)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one?
(3R)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one has a molecular weight of 386.54 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one is sourced from PubChem (CID 158202581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).