(3R)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

C20H25FN2O4 — CID 51897836

IUPAC(3R)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC[C@@H]1COC2(CCCCC2)O1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C20H25FN2O4/c21-15-4-6-16(7-5-15)23-12-14(10-18(23)24)19(25)22-11-17-13-26-20(27-17)8-2-1-3-9-20/h4-7,14,17H,1-3,8-13H2,(H,22,25)/t14-,17-/m1/s1
InChIKeyKIXWTWVVKQWCPA-RHSMWYFYSA-N
MW376.43 g/mol
LogP2.37
Rot. Bonds4

About (3R)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 51897836) has the molecular formula C20H25FN2O4 and a molecular weight of 376.43 g/mol. Its IUPAC name is (3R)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID51897836
Molecular FormulaC20H25FN2O4
Molecular Weight376.43 g/mol
Exact Mass376.18
IUPAC Name(3R)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC[C@@H]1COC2(CCCCC2)O1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C20H25FN2O4/c21-15-4-6-16(7-5-15)23-12-14(10-18(23)24)19(25)22-11-17-13-26-20(27-17)8-2-1-3-9-20/h4-7,14,17H,1-3,8-13H2,(H,22,25)/t14-,17-/m1/s1
InChIKeyKIXWTWVVKQWCPA-RHSMWYFYSA-N
XLogP2.37
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(4-fluorophenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 7369086
N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 16918650
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 91637213
(3S)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 686846
N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]cyclopropanecarboxamide
CID 40805232
(3R)-1-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 40502213
(3S)-1-(4-fluorophenyl)-5-oxo-N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-3-carboxamide
CID 51895433
1-(4-fluorophenyl)-N-heptyl-5-oxopyrrolidine-3-carboxamide
CID 17310603
1-(4-fluorophenyl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 6458569
1-(2,4-difluorophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113190639
(3R)-1-(4-fluorophenyl)-N-[2-(methanesulfonamido)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 39040356
1-(4-tert-butylphenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113187210

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 51897836) is (3R)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(NC[C@@H]1COC2(CCCCC2)O1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of (3R)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KIXWTWVVKQWCPA-RHSMWYFYSA-N. The full InChI is InChI=1S/C20H25FN2O4/c21-15-4-6-16(7-5-15)23-12-14(10-18(23)24)19(25)22-11-17-13-26-20(27-17)8-2-1-3-9-20/h4-7,14,17H,1-3,8-13H2,(H,22,25)/t14-,17-/m1/s1.
What are the key properties of (3R)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 376.43 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 51897836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).