1-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-2-(1,2-oxazol-3-yl)ethanone

C17H26N4O3 — CID 95981374

IUPAC1-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-2-(1,2-oxazol-3-yl)ethanone
SMILESC[C@H]1CCCCN1C(=O)CN1CCN(C(=O)Cc2ccon2)CC1
InChIInChI=1S/C17H26N4O3/c1-14-4-2-3-6-21(14)17(23)13-19-7-9-20(10-8-19)16(22)12-15-5-11-24-18-15/h5,11,14H,2-4,6-10,12-13H2,1H3/t14-/m0/s1
InChIKeyMGFWYKOWDONWAK-AWEZNQCLSA-N
MW334.42 g/mol
LogP0.76
Rot. Bonds4

About 1-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-2-(1,2-oxazol-3-yl)ethanone

1-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-2-(1,2-oxazol-3-yl)ethanone (PubChem CID 95981374) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-2-(1,2-oxazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-2-(1,2-oxazol-3-yl)ethanone
PubChem CID95981374
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name1-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-2-(1,2-oxazol-3-yl)ethanone
SMILESC[C@H]1CCCCN1C(=O)CN1CCN(C(=O)Cc2ccon2)CC1
InChIInChI=1S/C17H26N4O3/c1-14-4-2-3-6-21(14)17(23)13-19-7-9-20(10-8-19)16(22)12-15-5-11-24-18-15/h5,11,14H,2-4,6-10,12-13H2,1H3/t14-/m0/s1
InChIKeyMGFWYKOWDONWAK-AWEZNQCLSA-N
XLogP0.76
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-2-(1,2-oxazol-3-yl)ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-2-(1,2-oxazol-3-yl)ethanone?
The IUPAC name of 1-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-2-(1,2-oxazol-3-yl)ethanone (CID 95981374) is 1-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-2-(1,2-oxazol-3-yl)ethanone.
What is the SMILES notation for 1-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-2-(1,2-oxazol-3-yl)ethanone?
The canonical SMILES for 1-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-2-(1,2-oxazol-3-yl)ethanone is C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)Cc2ccon2)CC1.
What is the InChIKey of 1-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-2-(1,2-oxazol-3-yl)ethanone?
The InChIKey is MGFWYKOWDONWAK-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-14-4-2-3-6-21(14)17(23)13-19-7-9-20(10-8-19)16(22)12-15-5-11-24-18-15/h5,11,14H,2-4,6-10,12-13H2,1H3/t14-/m0/s1.
What are the key properties of 1-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-2-(1,2-oxazol-3-yl)ethanone?
1-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-2-(1,2-oxazol-3-yl)ethanone has a molecular weight of 334.42 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-2-(1,2-oxazol-3-yl)ethanone is sourced from PubChem (CID 95981374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).