(3S)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-propan-2-ylpiperidin-2-one

C17H28N4O2 — CID 97319550

IUPAC(3S)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-propan-2-ylpiperidin-2-one
SMILESCc1cc(CN2CCN([C@H]3CCCN(C(C)C)C3=O)CC2)on1
InChIInChI=1S/C17H28N4O2/c1-13(2)21-6-4-5-16(17(21)22)20-9-7-19(8-10-20)12-15-11-14(3)18-23-15/h11,13,16H,4-10,12H2,1-3H3/t16-/m0/s1
InChIKeyWQPROCHJSJPVCW-INIZCTEOSA-N
MW320.44 g/mol
LogP1.50
Rot. Bonds4

About (3S)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-propan-2-ylpiperidin-2-one

(3S)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-propan-2-ylpiperidin-2-one (PubChem CID 97319550) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is (3S)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name(3S)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-propan-2-ylpiperidin-2-one
PubChem CID97319550
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name(3S)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-propan-2-ylpiperidin-2-one
SMILESCc1cc(CN2CCN([C@H]3CCCN(C(C)C)C3=O)CC2)on1
InChIInChI=1S/C17H28N4O2/c1-13(2)21-6-4-5-16(17(21)22)20-9-7-19(8-10-20)12-15-11-14(3)18-23-15/h11,13,16H,4-10,12H2,1-3H3/t16-/m0/s1
InChIKeyWQPROCHJSJPVCW-INIZCTEOSA-N
XLogP1.50
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-propan-2-ylpiperidin-2-one?
The IUPAC name of (3S)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-propan-2-ylpiperidin-2-one (CID 97319550) is (3S)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-propan-2-ylpiperidin-2-one.
What is the SMILES notation for (3S)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-propan-2-ylpiperidin-2-one?
The canonical SMILES for (3S)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-propan-2-ylpiperidin-2-one is Cc1cc(CN2CCN([C@H]3CCCN(C(C)C)C3=O)CC2)on1.
What is the InChIKey of (3S)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-propan-2-ylpiperidin-2-one?
The InChIKey is WQPROCHJSJPVCW-INIZCTEOSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13(2)21-6-4-5-16(17(21)22)20-9-7-19(8-10-20)12-15-11-14(3)18-23-15/h11,13,16H,4-10,12H2,1-3H3/t16-/m0/s1.
What are the key properties of (3S)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-propan-2-ylpiperidin-2-one?
(3S)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-propan-2-ylpiperidin-2-one has a molecular weight of 320.44 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 97319550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).