2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-(3-chloro-4-methoxyphenyl)acetamide

C24H30ClN3O3 — CID 110166578

IUPAC2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CC[C@@]3(CCCN3Cc3ccccc3)[C@@H](O)C2)cc1Cl
InChIInChI=1S/C24H30ClN3O3/c1-31-21-9-8-19(14-20(21)25)26-23(30)17-27-13-11-24(22(29)16-27)10-5-12-28(24)15-18-6-3-2-4-7-18/h2-4,6-9,14,22,29H,5,10-13,15-17H2,1H3,(H,26,30)/t22-,24-/m0/s1
InChIKeyJLPNPXUQYLWJIM-UPVQGACJSA-N
MW443.98 g/mol
LogP3.39
Rot. Bonds6

About 2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-(3-chloro-4-methoxyphenyl)acetamide

2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-(3-chloro-4-methoxyphenyl)acetamide (PubChem CID 110166578) has the molecular formula C24H30ClN3O3 and a molecular weight of 443.98 g/mol. Its IUPAC name is 2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-(3-chloro-4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
PubChem CID110166578
Molecular FormulaC24H30ClN3O3
Molecular Weight443.98 g/mol
Exact Mass443.20
IUPAC Name2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CC[C@@]3(CCCN3Cc3ccccc3)[C@@H](O)C2)cc1Cl
InChIInChI=1S/C24H30ClN3O3/c1-31-21-9-8-19(14-20(21)25)26-23(30)17-27-13-11-24(22(29)16-27)10-5-12-28(24)15-18-6-3-2-4-7-18/h2-4,6-9,14,22,29H,5,10-13,15-17H2,1H3,(H,26,30)/t22-,24-/m0/s1
InChIKeyJLPNPXUQYLWJIM-UPVQGACJSA-N
XLogP3.39
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.98
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 110166571
2-(4-benzylpiperidin-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 16554623
2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-phenoxyphenyl)acetamide
CID 110077683
N-(3-chloro-4-methoxyphenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 80702831
N-(3-chloro-4-methoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963334
N-(3-chloro-4-methoxyphenyl)-2-[(5R,6R)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
CID 125013799
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 2545808
N-(3-chloro-4-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62371221
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 2655574
N-(3-chloro-4-methoxyphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2264838
N-(3-chloro-4-methoxyphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923559

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-(3-chloro-4-methoxyphenyl)acetamide?
The IUPAC name of 2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-(3-chloro-4-methoxyphenyl)acetamide (CID 110166578) is 2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-(3-chloro-4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-(3-chloro-4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-(3-chloro-4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN2CC[C@@]3(CCCN3Cc3ccccc3)[C@@H](O)C2)cc1Cl.
What is the InChIKey of 2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-(3-chloro-4-methoxyphenyl)acetamide?
The InChIKey is JLPNPXUQYLWJIM-UPVQGACJSA-N. The full InChI is InChI=1S/C24H30ClN3O3/c1-31-21-9-8-19(14-20(21)25)26-23(30)17-27-13-11-24(22(29)16-27)10-5-12-28(24)15-18-6-3-2-4-7-18/h2-4,6-9,14,22,29H,5,10-13,15-17H2,1H3,(H,26,30)/t22-,24-/m0/s1.
What are the key properties of 2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-(3-chloro-4-methoxyphenyl)acetamide?
2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-(3-chloro-4-methoxyphenyl)acetamide has a molecular weight of 443.98 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 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-(3-chloro-4-methoxyphenyl)acetamide is sourced from PubChem (CID 110166578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).