1-(2,3-dihydro-1H-inden-5-yl)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide

C26H30FN3O3 — CID 60579490

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CC(=O)N(c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C26H30FN3O3/c27-23-12-17(4-7-24(23)29-10-8-22(31)9-11-29)15-28-26(33)20-14-25(32)30(16-20)21-6-5-18-2-1-3-19(18)13-21/h4-7,12-13,20,22,31H,1-3,8-11,14-16H2,(H,28,33)
InChIKeyYDBWDQNSWVLXOS-UHFFFAOYSA-N
MW451.54 g/mol
LogP2.94
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-5-yl)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide

1-(2,3-dihydro-1H-inden-5-yl)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 60579490) has the molecular formula C26H30FN3O3 and a molecular weight of 451.54 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID60579490
Molecular FormulaC26H30FN3O3
Molecular Weight451.54 g/mol
Exact Mass451.23
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CC(=O)N(c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C26H30FN3O3/c27-23-12-17(4-7-24(23)29-10-8-22(31)9-11-29)15-28-26(33)20-14-25(32)30(16-20)21-6-5-18-2-1-3-19(18)13-21/h4-7,12-13,20,22,31H,1-3,8-11,14-16H2,(H,28,33)
InChIKeyYDBWDQNSWVLXOS-UHFFFAOYSA-N
XLogP2.94
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.54
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 60579490) is 1-(2,3-dihydro-1H-inden-5-yl)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CC(=O)N(c2ccc3c(c2)CCC3)C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YDBWDQNSWVLXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O3/c27-23-12-17(4-7-24(23)29-10-8-22(31)9-11-29)15-28-26(33)20-14-25(32)30(16-20)21-6-5-18-2-1-3-19(18)13-21/h4-7,12-13,20,22,31H,1-3,8-11,14-16H2,(H,28,33).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
1-(2,3-dihydro-1H-inden-5-yl)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 451.54 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 60579490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).