(2R,4R)-N-[2-[3-cyano-4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-6-fluorobenzoyl]-4-hydroxy-2-methylpyrrolidine-2-carboxamide

About (2R,4R)-N-[2-[3-cyano-4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-6-fluorobenzoyl]-4-hydroxy-2-methylpyrrolidine-2-carboxamide

(2R,4R)-N-[2-[3-cyano-4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-6-fluorobenzoyl]-4-hydroxy-2-methylpyrrolidine-2-carboxamide (PubChem CID 118109809) has the molecular formula C30H36F2N4O4 and a molecular weight of 554.64 g/mol. Its IUPAC name is (2R,4R)-N-[2-[3-cyano-4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-6-fluorobenzoyl]-4-hydroxy-2-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name	(2R,4R)-N-[2-[3-cyano-4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-6-fluorobenzoyl]-4-hydroxy-2-methylpyrrolidine-2-carboxamide
PubChem CID	118109809
Molecular Formula	C30H36F2N4O4
Molecular Weight	554.64 g/mol
Exact Mass	554.27
IUPAC Name	(2R,4R)-N-[2-[3-cyano-4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-6-fluorobenzoyl]-4-hydroxy-2-methylpyrrolidine-2-carboxamide
SMILES	CC(C)(F)CN1CCC(COc2ccc(-c3cccc(F)c3C(=O)NC(=O)[C@@]3(C)C[C@@H](O)CN3)cc2C#N)CC1
InChI	InChI=1S/C30H36F2N4O4/c1-29(2,32)18-36-11-9-19(10-12-36)17-40-25-8-7-20(13-21(25)15-33)23-5-4-6-24(31)26(23)27(38)35-28(39)30(3)14-22(37)16-34-30/h4-8,13,19,22,34,37H,9-12,14,16-18H2,1-3H3,(H,35,38,39)/t22-,30-/m1/s1
InChIKey	AYLUOUHJVGYRCA-YKGWIAGDSA-N
XLogP	3.57
TPSA	114.69 Å²
H-Bond Donors	3
H-Bond Acceptors	7
Rotatable Bonds	8
Heavy Atoms	40
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.64
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-N-[2-[3-cyano-4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-6-fluorobenzoyl]-4-hydroxy-2-methylpyrrolidine-2-carboxamide?

The IUPAC name of (2R,4R)-N-[2-[3-cyano-4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-6-fluorobenzoyl]-4-hydroxy-2-methylpyrrolidine-2-carboxamide (CID 118109809) is (2R,4R)-N-[2-[3-cyano-4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-6-fluorobenzoyl]-4-hydroxy-2-methylpyrrolidine-2-carboxamide.

What is the SMILES notation for (2R,4R)-N-[2-[3-cyano-4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-6-fluorobenzoyl]-4-hydroxy-2-methylpyrrolidine-2-carboxamide?

The canonical SMILES for (2R,4R)-N-[2-[3-cyano-4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-6-fluorobenzoyl]-4-hydroxy-2-methylpyrrolidine-2-carboxamide is CC(C)(F)CN1CCC(COc2ccc(-c3cccc(F)c3C(=O)NC(=O)[C@@]3(C)C[C@@H](O)CN3)cc2C#N)CC1.

What is the InChIKey of (2R,4R)-N-[2-[3-cyano-4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-6-fluorobenzoyl]-4-hydroxy-2-methylpyrrolidine-2-carboxamide?

The InChIKey is AYLUOUHJVGYRCA-YKGWIAGDSA-N. The full InChI is InChI=1S/C30H36F2N4O4/c1-29(2,32)18-36-11-9-19(10-12-36)17-40-25-8-7-20(13-21(25)15-33)23-5-4-6-24(31)26(23)27(38)35-28(39)30(3)14-22(37)16-34-30/h4-8,13,19,22,34,37H,9-12,14,16-18H2,1-3H3,(H,35,38,39)/t22-,30-/m1/s1.

What are the key properties of (2R,4R)-N-[2-[3-cyano-4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-6-fluorobenzoyl]-4-hydroxy-2-methylpyrrolidine-2-carboxamide?

(2R,4R)-N-[2-[3-cyano-4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-6-fluorobenzoyl]-4-hydroxy-2-methylpyrrolidine-2-carboxamide has a molecular weight of 554.64 g/mol, XLogP of 3.57, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4R)-N-[2-[3-cyano-4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-6-fluorobenzoyl]-4-hydroxy-2-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 118109809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).