(3R)-1-[2-[(3-fluorophenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)piperidine-3-carboxamide

About (3R)-1-[2-[(3-fluorophenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)piperidine-3-carboxamide

(3R)-1-[2-[(3-fluorophenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 42162339) has the molecular formula C26H25FN4O4 and a molecular weight of 476.51 g/mol. Its IUPAC name is (3R)-1-[2-[(3-fluorophenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name	(3R)-1-[2-[(3-fluorophenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)piperidine-3-carboxamide
PubChem CID	42162339
Molecular Formula	C26H25FN4O4
Molecular Weight	476.51 g/mol
Exact Mass	476.19
IUPAC Name	(3R)-1-[2-[(3-fluorophenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)piperidine-3-carboxamide
SMILES	CN(Cc1ccon1)C(=O)[C@@H]1CCCN(c2cccc3c2C(=O)N(Cc2cccc(F)c2)C3=O)C1
InChI	InChI=1S/C26H25FN4O4/c1-29(16-20-10-12-35-28-20)24(32)18-6-4-11-30(15-18)22-9-3-8-21-23(22)26(34)31(25(21)33)14-17-5-2-7-19(27)13-17/h2-3,5,7-10,12-13,18H,4,6,11,14-16H2,1H3/t18-/m1/s1
InChIKey	WHOVQMCRYVANIZ-GOSISDBHSA-N
XLogP	3.48
TPSA	86.96 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.51
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[(3-fluorophenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)piperidine-3-carboxamide?

The IUPAC name of (3R)-1-[2-[(3-fluorophenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)piperidine-3-carboxamide (CID 42162339) is (3R)-1-[2-[(3-fluorophenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)piperidine-3-carboxamide.

What is the SMILES notation for (3R)-1-[2-[(3-fluorophenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)piperidine-3-carboxamide?

The canonical SMILES for (3R)-1-[2-[(3-fluorophenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)piperidine-3-carboxamide is CN(Cc1ccon1)C(=O)[C@@H]1CCCN(c2cccc3c2C(=O)N(Cc2cccc(F)c2)C3=O)C1.

What is the InChIKey of (3R)-1-[2-[(3-fluorophenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)piperidine-3-carboxamide?

The InChIKey is WHOVQMCRYVANIZ-GOSISDBHSA-N. The full InChI is InChI=1S/C26H25FN4O4/c1-29(16-20-10-12-35-28-20)24(32)18-6-4-11-30(15-18)22-9-3-8-21-23(22)26(34)31(25(21)33)14-17-5-2-7-19(27)13-17/h2-3,5,7-10,12-13,18H,4,6,11,14-16H2,1H3/t18-/m1/s1.

What are the key properties of (3R)-1-[2-[(3-fluorophenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)piperidine-3-carboxamide?

(3R)-1-[2-[(3-fluorophenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 476.51 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-[2-[(3-fluorophenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 42162339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).