4-fluoro-N-[[(2R)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide

C25H31FN2O2 — CID 26344101

IUPAC4-fluoro-N-[[(2R)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1CCC2(CCN(CCCc3ccccc3)CC2)O1)c1ccc(F)cc1
InChIInChI=1S/C25H31FN2O2/c26-22-10-8-21(9-11-22)24(29)27-19-23-12-13-25(30-23)14-17-28(18-15-25)16-4-7-20-5-2-1-3-6-20/h1-3,5-6,8-11,23H,4,7,12-19H2,(H,27,29)/t23-/m1/s1
InChIKeyOUKMGQJUZIWFRS-HSZRJFAPSA-N
MW410.53 g/mol
LogP4.20
Rot. Bonds7

About 4-fluoro-N-[[(2R)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide

4-fluoro-N-[[(2R)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide (PubChem CID 26344101) has the molecular formula C25H31FN2O2 and a molecular weight of 410.53 g/mol. Its IUPAC name is 4-fluoro-N-[[(2R)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[(2R)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
PubChem CID26344101
Molecular FormulaC25H31FN2O2
Molecular Weight410.53 g/mol
Exact Mass410.24
IUPAC Name4-fluoro-N-[[(2R)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1CCC2(CCN(CCCc3ccccc3)CC2)O1)c1ccc(F)cc1
InChIInChI=1S/C25H31FN2O2/c26-22-10-8-21(9-11-22)24(29)27-19-23-12-13-25(30-23)14-17-28(18-15-25)16-4-7-20-5-2-1-3-6-20/h1-3,5-6,8-11,23H,4,7,12-19H2,(H,27,29)/t23-/m1/s1
InChIKeyOUKMGQJUZIWFRS-HSZRJFAPSA-N
XLogP4.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N-[[(2R)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide with MolForge

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Related Compounds

N-[[(2S)-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 42440769
2-methyl-N-[[(2S)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 26339872
N-[[8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide
CID 118755620
4-(4-fluorophenyl)-N-[[(2S)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 26278296
4-fluoro-N-[1-(3-phenylpropyl)piperidin-4-yl]benzamide
CID 34799426
N-[[(2S)-8-[(2-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-4-(trifluoromethyl)benzamide
CID 42379776
4-phenyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]butanamide
CID 45242799
N-[[(2R)-8-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 42434300
N-[[8-[(2,6-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide
CID 45198123
N-[(4-benzylmorpholin-2-yl)methyl]-4-fluorobenzamide
CID 46522835
N-[[(5R,7R)-2-(cyclopropylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzamide
CID 97476193
2-phenyl-N-[[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 45170967

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[(2R)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide?
The IUPAC name of 4-fluoro-N-[[(2R)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide (CID 26344101) is 4-fluoro-N-[[(2R)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[[(2R)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[[(2R)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide is O=C(NC[C@H]1CCC2(CCN(CCCc3ccccc3)CC2)O1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[[(2R)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide?
The InChIKey is OUKMGQJUZIWFRS-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H31FN2O2/c26-22-10-8-21(9-11-22)24(29)27-19-23-12-13-25(30-23)14-17-28(18-15-25)16-4-7-20-5-2-1-3-6-20/h1-3,5-6,8-11,23H,4,7,12-19H2,(H,27,29)/t23-/m1/s1.
What are the key properties of 4-fluoro-N-[[(2R)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide?
4-fluoro-N-[[(2R)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide has a molecular weight of 410.53 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[(2R)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide is sourced from PubChem (CID 26344101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).