N-[2-[(2R)-3-(5-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide

C23H27ClN2O4 — CID 68963446

IUPACN-[2-[(2R)-3-(5-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OC[C@H](O)CN1CCC2(CC1)OCc1ccc(Cl)cc12
InChIInChI=1S/C23H27ClN2O4/c1-16(27)25-21-4-2-3-5-22(21)29-15-19(28)13-26-10-8-23(9-11-26)20-12-18(24)7-6-17(20)14-30-23/h2-7,12,19,28H,8-11,13-15H2,1H3,(H,25,27)/t19-/m1/s1
InChIKeyUPVHBQNQHFTYOF-LJQANCHMSA-N
MW430.93 g/mol
LogP3.56
Rot. Bonds6

About N-[2-[(2R)-3-(5-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide

N-[2-[(2R)-3-(5-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide (PubChem CID 68963446) has the molecular formula C23H27ClN2O4 and a molecular weight of 430.93 g/mol. Its IUPAC name is N-[2-[(2R)-3-(5-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2R)-3-(5-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide
PubChem CID68963446
Molecular FormulaC23H27ClN2O4
Molecular Weight430.93 g/mol
Exact Mass430.17
IUPAC NameN-[2-[(2R)-3-(5-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OC[C@H](O)CN1CCC2(CC1)OCc1ccc(Cl)cc12
InChIInChI=1S/C23H27ClN2O4/c1-16(27)25-21-4-2-3-5-22(21)29-15-19(28)13-26-10-8-23(9-11-26)20-12-18(24)7-6-17(20)14-30-23/h2-7,12,19,28H,8-11,13-15H2,1H3,(H,25,27)/t19-/m1/s1
InChIKeyUPVHBQNQHFTYOF-LJQANCHMSA-N
XLogP3.56
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.93
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2R)-3-(5-chlorospiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide
CID 25057688
N-[2-[(2R)-3-(5-chlorospiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide;2,2,2-trifluoroacetic acid
CID 25057687
N-[2-[3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 10159022
N-[2-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 3795191
N-[2-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]acetamide
CID 97243371
2-[(2S)-3-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-hydroxy-N-(2-methylpropyl)benzamide
CID 68960785
N-[2-[(2S)-3-(5-chlorospiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide
CID 10460507
2-[(2S)-3-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-hydroxy-N-(1-hydroxy-3,3-dimethylbutan-2-yl)benzamide
CID 68962881
2-[4-acetamido-3-[(2S)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenoxy]acetic acid
CID 42602403
2-[(2R)-3-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-[(4-methoxyphenyl)methoxy]benzoic acid
CID 68958647
N-[2-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenyl]acetamide
CID 57259350
[2-[(2R)-3-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-hydroxyphenyl]-(4-phenylpiperidin-1-yl)methanone
CID 68965207

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-3-(5-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide?
The IUPAC name of N-[2-[(2R)-3-(5-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide (CID 68963446) is N-[2-[(2R)-3-(5-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide.
What is the SMILES notation for N-[2-[(2R)-3-(5-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide?
The canonical SMILES for N-[2-[(2R)-3-(5-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide is CC(=O)Nc1ccccc1OC[C@H](O)CN1CCC2(CC1)OCc1ccc(Cl)cc12.
What is the InChIKey of N-[2-[(2R)-3-(5-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide?
The InChIKey is UPVHBQNQHFTYOF-LJQANCHMSA-N. The full InChI is InChI=1S/C23H27ClN2O4/c1-16(27)25-21-4-2-3-5-22(21)29-15-19(28)13-26-10-8-23(9-11-26)20-12-18(24)7-6-17(20)14-30-23/h2-7,12,19,28H,8-11,13-15H2,1H3,(H,25,27)/t19-/m1/s1.
What are the key properties of N-[2-[(2R)-3-(5-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide?
N-[2-[(2R)-3-(5-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide has a molecular weight of 430.93 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-3-(5-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide is sourced from PubChem (CID 68963446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).