2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-chlorophenyl)acetamide

C23H28ClN3O2 — CID 110162127

IUPAC2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-chlorophenyl)acetamide
SMILESO=C(CN1CC[C@@]2(CCCN2Cc2ccccc2)[C@@H](O)C1)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H28ClN3O2/c24-19-7-9-20(10-8-19)25-22(29)17-26-14-12-23(21(28)16-26)11-4-13-27(23)15-18-5-2-1-3-6-18/h1-3,5-10,21,28H,4,11-17H2,(H,25,29)/t21-,23-/m0/s1
InChIKeyOULTUAHOYXTCFA-GMAHTHKFSA-N
MW413.95 g/mol
LogP3.38
Rot. Bonds5

About 2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-chlorophenyl)acetamide

2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-chlorophenyl)acetamide (PubChem CID 110162127) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is 2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-chlorophenyl)acetamide
PubChem CID110162127
Molecular FormulaC23H28ClN3O2
Molecular Weight413.95 g/mol
Exact Mass413.19
IUPAC Name2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-chlorophenyl)acetamide
SMILESO=C(CN1CC[C@@]2(CCCN2Cc2ccccc2)[C@@H](O)C1)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H28ClN3O2/c24-19-7-9-20(10-8-19)25-22(29)17-26-14-12-23(21(28)16-26)11-4-13-27(23)15-18-5-2-1-3-6-18/h1-3,5-10,21,28H,4,11-17H2,(H,25,29)/t21-,23-/m0/s1
InChIKeyOULTUAHOYXTCFA-GMAHTHKFSA-N
XLogP3.38
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 110162141
2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 110166578
2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 110166571
2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-phenoxyphenyl)acetamide
CID 110077683
2-[(5S,6S)-6-hydroxy-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 110167222
N-[2-(difluoromethoxy)phenyl]-2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide
CID 110162152
N-(5-fluoro-2-methylphenyl)-2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide
CID 110162119
(5S,6S)-1-benzyl-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,8-diazaspiro[4.5]decan-6-ol
CID 110159406
N-(4-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119924493
2-[4-[2-(4-chloroanilino)-2-oxoethyl]morpholin-2-yl]acetic acid
CID 66433081
N-(4-chlorophenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 81493727
N-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 6468177

Frequently Asked Questions

What is the IUPAC name of 2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-chlorophenyl)acetamide (CID 110162127) is 2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-chlorophenyl)acetamide is O=C(CN1CC[C@@]2(CCCN2Cc2ccccc2)[C@@H](O)C1)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-chlorophenyl)acetamide?
The InChIKey is OULTUAHOYXTCFA-GMAHTHKFSA-N. The full InChI is InChI=1S/C23H28ClN3O2/c24-19-7-9-20(10-8-19)25-22(29)17-26-14-12-23(21(28)16-26)11-4-13-27(23)15-18-5-2-1-3-6-18/h1-3,5-10,21,28H,4,11-17H2,(H,25,29)/t21-,23-/m0/s1.
What are the key properties of 2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-chlorophenyl)acetamide?
2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-chlorophenyl)acetamide has a molecular weight of 413.95 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 110162127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).