(4R,5S)-4-(4-fluorophenyl)-2-[2-(morpholin-4-ylmethyl)benzoyl]-2,6-diazaspiro[4.5]decan-7-one

C26H30FN3O3 — CID 129453846

IUPAC(4R,5S)-4-(4-fluorophenyl)-2-[2-(morpholin-4-ylmethyl)benzoyl]-2,6-diazaspiro[4.5]decan-7-one
SMILESO=C1CCC[C@]2(CN(C(=O)c3ccccc3CN3CCOCC3)C[C@H]2c2ccc(F)cc2)N1
InChIInChI=1S/C26H30FN3O3/c27-21-9-7-19(8-10-21)23-17-30(18-26(23)11-3-6-24(31)28-26)25(32)22-5-2-1-4-20(22)16-29-12-14-33-15-13-29/h1-2,4-5,7-10,23H,3,6,11-18H2,(H,28,31)/t23-,26+/m0/s1
InChIKeyBXBAOWQOWPBLLE-JYFHCDHNSA-N
MW451.54 g/mol
LogP2.94
Rot. Bonds4

About (4R,5S)-4-(4-fluorophenyl)-2-[2-(morpholin-4-ylmethyl)benzoyl]-2,6-diazaspiro[4.5]decan-7-one

(4R,5S)-4-(4-fluorophenyl)-2-[2-(morpholin-4-ylmethyl)benzoyl]-2,6-diazaspiro[4.5]decan-7-one (PubChem CID 129453846) has the molecular formula C26H30FN3O3 and a molecular weight of 451.54 g/mol. Its IUPAC name is (4R,5S)-4-(4-fluorophenyl)-2-[2-(morpholin-4-ylmethyl)benzoyl]-2,6-diazaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name(4R,5S)-4-(4-fluorophenyl)-2-[2-(morpholin-4-ylmethyl)benzoyl]-2,6-diazaspiro[4.5]decan-7-one
PubChem CID129453846
Molecular FormulaC26H30FN3O3
Molecular Weight451.54 g/mol
Exact Mass451.23
IUPAC Name(4R,5S)-4-(4-fluorophenyl)-2-[2-(morpholin-4-ylmethyl)benzoyl]-2,6-diazaspiro[4.5]decan-7-one
SMILESO=C1CCC[C@]2(CN(C(=O)c3ccccc3CN3CCOCC3)C[C@H]2c2ccc(F)cc2)N1
InChIInChI=1S/C26H30FN3O3/c27-21-9-7-19(8-10-21)23-17-30(18-26(23)11-3-6-24(31)28-26)25(32)22-5-2-1-4-20(22)16-29-12-14-33-15-13-29/h1-2,4-5,7-10,23H,3,6,11-18H2,(H,28,31)/t23-,26+/m0/s1
InChIKeyBXBAOWQOWPBLLE-JYFHCDHNSA-N
XLogP2.94
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.54
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-(4-fluorophenyl)-2-[2-(morpholin-4-ylmethyl)benzoyl]-2,6-diazaspiro[4.5]decan-7-one?
The IUPAC name of (4R,5S)-4-(4-fluorophenyl)-2-[2-(morpholin-4-ylmethyl)benzoyl]-2,6-diazaspiro[4.5]decan-7-one (CID 129453846) is (4R,5S)-4-(4-fluorophenyl)-2-[2-(morpholin-4-ylmethyl)benzoyl]-2,6-diazaspiro[4.5]decan-7-one.
What is the SMILES notation for (4R,5S)-4-(4-fluorophenyl)-2-[2-(morpholin-4-ylmethyl)benzoyl]-2,6-diazaspiro[4.5]decan-7-one?
The canonical SMILES for (4R,5S)-4-(4-fluorophenyl)-2-[2-(morpholin-4-ylmethyl)benzoyl]-2,6-diazaspiro[4.5]decan-7-one is O=C1CCC[C@]2(CN(C(=O)c3ccccc3CN3CCOCC3)C[C@H]2c2ccc(F)cc2)N1.
What is the InChIKey of (4R,5S)-4-(4-fluorophenyl)-2-[2-(morpholin-4-ylmethyl)benzoyl]-2,6-diazaspiro[4.5]decan-7-one?
The InChIKey is BXBAOWQOWPBLLE-JYFHCDHNSA-N. The full InChI is InChI=1S/C26H30FN3O3/c27-21-9-7-19(8-10-21)23-17-30(18-26(23)11-3-6-24(31)28-26)25(32)22-5-2-1-4-20(22)16-29-12-14-33-15-13-29/h1-2,4-5,7-10,23H,3,6,11-18H2,(H,28,31)/t23-,26+/m0/s1.
What are the key properties of (4R,5S)-4-(4-fluorophenyl)-2-[2-(morpholin-4-ylmethyl)benzoyl]-2,6-diazaspiro[4.5]decan-7-one?
(4R,5S)-4-(4-fluorophenyl)-2-[2-(morpholin-4-ylmethyl)benzoyl]-2,6-diazaspiro[4.5]decan-7-one has a molecular weight of 451.54 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-(4-fluorophenyl)-2-[2-(morpholin-4-ylmethyl)benzoyl]-2,6-diazaspiro[4.5]decan-7-one is sourced from PubChem (CID 129453846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).