1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-3-cyclopentylpropan-1-one

C16H25N3O2 — CID 53146529

IUPAC1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-3-cyclopentylpropan-1-one
SMILESNc1cc(C2CCN(C(=O)CCC3CCCC3)CC2)no1
InChIInChI=1S/C16H25N3O2/c17-15-11-14(18-21-15)13-7-9-19(10-8-13)16(20)6-5-12-3-1-2-4-12/h11-13H,1-10,17H2
InChIKeyCZTGICWPLLXDHF-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.93
Rot. Bonds4

About 1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-3-cyclopentylpropan-1-one

1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-3-cyclopentylpropan-1-one (PubChem CID 53146529) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-3-cyclopentylpropan-1-one.

Molecular Properties

Compound Name1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-3-cyclopentylpropan-1-one
PubChem CID53146529
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-3-cyclopentylpropan-1-one
SMILESNc1cc(C2CCN(C(=O)CCC3CCCC3)CC2)no1
InChIInChI=1S/C16H25N3O2/c17-15-11-14(18-21-15)13-7-9-19(10-8-13)16(20)6-5-12-3-1-2-4-12/h11-13H,1-10,17H2
InChIKeyCZTGICWPLLXDHF-UHFFFAOYSA-N
XLogP2.93
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-3-cyclopentylpropan-1-one?
The IUPAC name of 1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-3-cyclopentylpropan-1-one (CID 53146529) is 1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-3-cyclopentylpropan-1-one.
What is the SMILES notation for 1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-3-cyclopentylpropan-1-one?
The canonical SMILES for 1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-3-cyclopentylpropan-1-one is Nc1cc(C2CCN(C(=O)CCC3CCCC3)CC2)no1.
What is the InChIKey of 1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-3-cyclopentylpropan-1-one?
The InChIKey is CZTGICWPLLXDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c17-15-11-14(18-21-15)13-7-9-19(10-8-13)16(20)6-5-12-3-1-2-4-12/h11-13H,1-10,17H2.
What are the key properties of 1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-3-cyclopentylpropan-1-one?
1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-3-cyclopentylpropan-1-one has a molecular weight of 291.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-3-cyclopentylpropan-1-one is sourced from PubChem (CID 53146529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).