(5S)-7-[1-[(4-fluorophenyl)methyl]piperidine-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

C25H28FN3O3 — CID 125022527

IUPAC(5S)-7-[1-[(4-fluorophenyl)methyl]piperidine-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESO=C(C1CCN(Cc2ccc(F)cc2)CC1)N1CC[C@]2(C1)CN(c1ccccc1)C(=O)O2
InChIInChI=1S/C25H28FN3O3/c26-21-8-6-19(7-9-21)16-27-13-10-20(11-14-27)23(30)28-15-12-25(17-28)18-29(24(31)32-25)22-4-2-1-3-5-22/h1-9,20H,10-18H2/t25-/m0/s1
InChIKeyYRCYUVINNDHKSK-VWLOTQADSA-N
MW437.52 g/mol
LogP3.67
Rot. Bonds4

About (5S)-7-[1-[(4-fluorophenyl)methyl]piperidine-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

(5S)-7-[1-[(4-fluorophenyl)methyl]piperidine-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (PubChem CID 125022527) has the molecular formula C25H28FN3O3 and a molecular weight of 437.52 g/mol. Its IUPAC name is (5S)-7-[1-[(4-fluorophenyl)methyl]piperidine-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name(5S)-7-[1-[(4-fluorophenyl)methyl]piperidine-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
PubChem CID125022527
Molecular FormulaC25H28FN3O3
Molecular Weight437.52 g/mol
Exact Mass437.21
IUPAC Name(5S)-7-[1-[(4-fluorophenyl)methyl]piperidine-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESO=C(C1CCN(Cc2ccc(F)cc2)CC1)N1CC[C@]2(C1)CN(c1ccccc1)C(=O)O2
InChIInChI=1S/C25H28FN3O3/c26-21-8-6-19(7-9-21)16-27-13-10-20(11-14-27)23(30)28-15-12-25(17-28)18-29(24(31)32-25)22-4-2-1-3-5-22/h1-9,20H,10-18H2/t25-/m0/s1
InChIKeyYRCYUVINNDHKSK-VWLOTQADSA-N
XLogP3.67
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-[1-[(4-fluorophenyl)methyl]piperidine-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of (5S)-7-[1-[(4-fluorophenyl)methyl]piperidine-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (CID 125022527) is (5S)-7-[1-[(4-fluorophenyl)methyl]piperidine-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for (5S)-7-[1-[(4-fluorophenyl)methyl]piperidine-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for (5S)-7-[1-[(4-fluorophenyl)methyl]piperidine-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is O=C(C1CCN(Cc2ccc(F)cc2)CC1)N1CC[C@]2(C1)CN(c1ccccc1)C(=O)O2.
What is the InChIKey of (5S)-7-[1-[(4-fluorophenyl)methyl]piperidine-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is YRCYUVINNDHKSK-VWLOTQADSA-N. The full InChI is InChI=1S/C25H28FN3O3/c26-21-8-6-19(7-9-21)16-27-13-10-20(11-14-27)23(30)28-15-12-25(17-28)18-29(24(31)32-25)22-4-2-1-3-5-22/h1-9,20H,10-18H2/t25-/m0/s1.
What are the key properties of (5S)-7-[1-[(4-fluorophenyl)methyl]piperidine-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
(5S)-7-[1-[(4-fluorophenyl)methyl]piperidine-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 437.52 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-[1-[(4-fluorophenyl)methyl]piperidine-4-carbonyl]-3-phenyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 125022527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).