N-[2-[(2S)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-3-yl)-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide

C23H27FN2O5 — CID 123726802

IUPACN-[2-[(2S)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-3-yl)-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(O)cc1OC[C@@H](O)CC1c2cc(F)ccc2OC12CCNCC2
InChIInChI=1S/C23H27FN2O5/c1-14(27)26-20-4-3-16(28)12-22(20)30-13-17(29)11-19-18-10-15(24)2-5-21(18)31-23(19)6-8-25-9-7-23/h2-5,10,12,17,19,25,28-29H,6-9,11,13H2,1H3,(H,26,27)/t17-,19?/m0/s1
InChIKeyLYVPRPQEPMTXHA-KKFHFHRHSA-N
MW430.48 g/mol
LogP2.92
Rot. Bonds6

About N-[2-[(2S)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-3-yl)-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide

N-[2-[(2S)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-3-yl)-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide (PubChem CID 123726802) has the molecular formula C23H27FN2O5 and a molecular weight of 430.48 g/mol. Its IUPAC name is N-[2-[(2S)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-3-yl)-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2S)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-3-yl)-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide
PubChem CID123726802
Molecular FormulaC23H27FN2O5
Molecular Weight430.48 g/mol
Exact Mass430.19
IUPAC NameN-[2-[(2S)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-3-yl)-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(O)cc1OC[C@@H](O)CC1c2cc(F)ccc2OC12CCNCC2
InChIInChI=1S/C23H27FN2O5/c1-14(27)26-20-4-3-16(28)12-22(20)30-13-17(29)11-19-18-10-15(24)2-5-21(18)31-23(19)6-8-25-9-7-23/h2-5,10,12,17,19,25,28-29H,6-9,11,13H2,1H3,(H,26,27)/t17-,19?/m0/s1
InChIKeyLYVPRPQEPMTXHA-KKFHFHRHSA-N
XLogP2.92
TPSA100.05 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 52.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2S)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide
CID 10094212
N-[2-[(2S)-3-(5-chlorospiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide
CID 10460507
N-[2-[(2S)-2-amino-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propoxy]-4-hydroxyphenyl]acetamide;bis(2,2,2-trifluoroacetic acid)
CID 87292631
N-[4-fluoro-2-[(2S)-3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]amino]-2-hydroxypropoxy]phenyl]acetamide
CID 10159975
N-[4-fluoro-2-[3-[3-(4-fluorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 10136007
N-(2-ethoxy-4-hydroxyphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 154862858
N-[2-[(2S)-2-amino-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propoxy]-4-hydroxyphenyl]acetamide
CID 71570633
N-[2-[(2S)-3-[(4S)-4-(4-chlorophenoxy)-1,2-oxazolidin-2-yl]-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide
CID 25125590
[4-fluoro-2-[(2S)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]urea
CID 68958815
N-[2-[(2R)-3-[(4R)-4-(4-chlorophenoxy)-1,2-oxazolidin-2-yl]-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide
CID 69175831
N-[2-[(2R)-2-acetamido-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propoxy]-4-methoxyphenyl]acetamide
CID 68817003
2-[(2S)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-hydroxy-N-methylbenzamide
CID 10094211

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-3-yl)-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide?
The IUPAC name of N-[2-[(2S)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-3-yl)-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide (CID 123726802) is N-[2-[(2S)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-3-yl)-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide.
What is the SMILES notation for N-[2-[(2S)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-3-yl)-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide?
The canonical SMILES for N-[2-[(2S)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-3-yl)-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide is CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CC1c2cc(F)ccc2OC12CCNCC2.
What is the InChIKey of N-[2-[(2S)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-3-yl)-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide?
The InChIKey is LYVPRPQEPMTXHA-KKFHFHRHSA-N. The full InChI is InChI=1S/C23H27FN2O5/c1-14(27)26-20-4-3-16(28)12-22(20)30-13-17(29)11-19-18-10-15(24)2-5-21(18)31-23(19)6-8-25-9-7-23/h2-5,10,12,17,19,25,28-29H,6-9,11,13H2,1H3,(H,26,27)/t17-,19?/m0/s1.
What are the key properties of N-[2-[(2S)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-3-yl)-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide?
N-[2-[(2S)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-3-yl)-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide has a molecular weight of 430.48 g/mol, XLogP of 2.92, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-3-yl)-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide is sourced from PubChem (CID 123726802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).