3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-1-carboxamide

C15H28FN3O3 — CID 146329211

IUPAC3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-1-carboxamide
SMILESCC(C)NC(=O)CC1CCN(C(=O)NC(C)(C)CO)CC1F
InChIInChI=1S/C15H28FN3O3/c1-10(2)17-13(21)7-11-5-6-19(8-12(11)16)14(22)18-15(3,4)9-20/h10-12,20H,5-9H2,1-4H3,(H,17,21)(H,18,22)
InChIKeyBSSCLFMHMGYGHA-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.04
Rot. Bonds5

About 3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-1-carboxamide

3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-1-carboxamide (PubChem CID 146329211) has the molecular formula C15H28FN3O3 and a molecular weight of 317.41 g/mol. Its IUPAC name is 3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-1-carboxamide
PubChem CID146329211
Molecular FormulaC15H28FN3O3
Molecular Weight317.41 g/mol
Exact Mass317.21
IUPAC Name3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-1-carboxamide
SMILESCC(C)NC(=O)CC1CCN(C(=O)NC(C)(C)CO)CC1F
InChIInChI=1S/C15H28FN3O3/c1-10(2)17-13(21)7-11-5-6-19(8-12(11)16)14(22)18-15(3,4)9-20/h10-12,20H,5-9H2,1-4H3,(H,17,21)(H,18,22)
InChIKeyBSSCLFMHMGYGHA-UHFFFAOYSA-N
XLogP1.04
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-1-carboxamide 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 3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-1-carboxamide?
The IUPAC name of 3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-1-carboxamide (CID 146329211) is 3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-1-carboxamide is CC(C)NC(=O)CC1CCN(C(=O)NC(C)(C)CO)CC1F.
What is the InChIKey of 3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-1-carboxamide?
The InChIKey is BSSCLFMHMGYGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28FN3O3/c1-10(2)17-13(21)7-11-5-6-19(8-12(11)16)14(22)18-15(3,4)9-20/h10-12,20H,5-9H2,1-4H3,(H,17,21)(H,18,22).
What are the key properties of 3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-1-carboxamide?
3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-1-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 146329211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).