N-[5-[(1S)-2-[(4S)-6-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-1-hydroxyethyl]-2-methoxyphenyl]acetamide

C24H29FN2O5 — CID 92550569

IUPACN-[5-[(1S)-2-[(4S)-6-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-1-hydroxyethyl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1NC(C)=O
InChIInChI=1S/C24H29FN2O5/c1-15(28)26-19-11-16(3-5-23(19)31-2)21(30)14-27-9-7-24(8-10-27)13-20(29)18-12-17(25)4-6-22(18)32-24/h3-6,11-12,20-21,29-30H,7-10,13-14H2,1-2H3,(H,26,28)/t20-,21+/m0/s1
InChIKeyNPBYOONDNRFLRE-LEWJYISDSA-N
MW444.50 g/mol
LogP3.18
Rot. Bonds5

About N-[5-[(1S)-2-[(4S)-6-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-1-hydroxyethyl]-2-methoxyphenyl]acetamide

N-[5-[(1S)-2-[(4S)-6-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-1-hydroxyethyl]-2-methoxyphenyl]acetamide (PubChem CID 92550569) has the molecular formula C24H29FN2O5 and a molecular weight of 444.50 g/mol. Its IUPAC name is N-[5-[(1S)-2-[(4S)-6-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-1-hydroxyethyl]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(1S)-2-[(4S)-6-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-1-hydroxyethyl]-2-methoxyphenyl]acetamide
PubChem CID92550569
Molecular FormulaC24H29FN2O5
Molecular Weight444.50 g/mol
Exact Mass444.21
IUPAC NameN-[5-[(1S)-2-[(4S)-6-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-1-hydroxyethyl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1NC(C)=O
InChIInChI=1S/C24H29FN2O5/c1-15(28)26-19-11-16(3-5-23(19)31-2)21(30)14-27-9-7-24(8-10-27)13-20(29)18-12-17(25)4-6-22(18)32-24/h3-6,11-12,20-21,29-30H,7-10,13-14H2,1-2H3,(H,26,28)/t20-,21+/m0/s1
InChIKeyNPBYOONDNRFLRE-LEWJYISDSA-N
XLogP3.18
TPSA91.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(1R)-2-[(4R)-6-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-1-hydroxyethyl]-2-methoxyphenyl]acetamide
CID 92550566
(4R)-6-fluoro-1'-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 51503486
N-[4-[(1R)-2-[(4R)-6-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-1-hydroxyethyl]phenyl]cyclopropanecarboxamide
CID 92569824
(4S)-1'-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 51503590
(4R)-1'-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 51503586
(4S)-1'-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-6,7-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 92554899
(4S)-1'-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-hydroxyethyl]-6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 92571797
6-fluoro-1'-[2-hydroxy-2-(4-phenylphenyl)ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 46955217
(4S)-1'-[(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 51503372
N-[4-[(1S)-1-hydroxy-2-[(4S)-4-hydroxy-6,7-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]ethyl]phenyl]acetamide
CID 51503404
6-chloro-1'-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-7-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 46955249
(4R)-1'-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-6-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 51502250

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1S)-2-[(4S)-6-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-1-hydroxyethyl]-2-methoxyphenyl]acetamide?
The IUPAC name of N-[5-[(1S)-2-[(4S)-6-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-1-hydroxyethyl]-2-methoxyphenyl]acetamide (CID 92550569) is N-[5-[(1S)-2-[(4S)-6-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-1-hydroxyethyl]-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[5-[(1S)-2-[(4S)-6-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-1-hydroxyethyl]-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[5-[(1S)-2-[(4S)-6-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-1-hydroxyethyl]-2-methoxyphenyl]acetamide is COc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1NC(C)=O.
What is the InChIKey of N-[5-[(1S)-2-[(4S)-6-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-1-hydroxyethyl]-2-methoxyphenyl]acetamide?
The InChIKey is NPBYOONDNRFLRE-LEWJYISDSA-N. The full InChI is InChI=1S/C24H29FN2O5/c1-15(28)26-19-11-16(3-5-23(19)31-2)21(30)14-27-9-7-24(8-10-27)13-20(29)18-12-17(25)4-6-22(18)32-24/h3-6,11-12,20-21,29-30H,7-10,13-14H2,1-2H3,(H,26,28)/t20-,21+/m0/s1.
What are the key properties of N-[5-[(1S)-2-[(4S)-6-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-1-hydroxyethyl]-2-methoxyphenyl]acetamide?
N-[5-[(1S)-2-[(4S)-6-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-1-hydroxyethyl]-2-methoxyphenyl]acetamide has a molecular weight of 444.50 g/mol, XLogP of 3.18, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1S)-2-[(4S)-6-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-1-hydroxyethyl]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 92550569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).