1-(1-benzyl-1,9-diazaspiro[4.5]decan-9-yl)-2-(4-chlorophenyl)ethanone

C23H27ClN2O — CID 131647501

IUPAC1-(1-benzyl-1,9-diazaspiro[4.5]decan-9-yl)-2-(4-chlorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCCC2(CCCN2Cc2ccccc2)C1
InChIInChI=1S/C23H27ClN2O/c24-21-10-8-19(9-11-21)16-22(27)25-14-4-12-23(18-25)13-5-15-26(23)17-20-6-2-1-3-7-20/h1-3,6-11H,4-5,12-18H2
InChIKeyAJEBRTIJKUNDNG-UHFFFAOYSA-N
MW382.94 g/mol
LogP4.54
Rot. Bonds4

About 1-(1-benzyl-1,9-diazaspiro[4.5]decan-9-yl)-2-(4-chlorophenyl)ethanone

1-(1-benzyl-1,9-diazaspiro[4.5]decan-9-yl)-2-(4-chlorophenyl)ethanone (PubChem CID 131647501) has the molecular formula C23H27ClN2O and a molecular weight of 382.94 g/mol. Its IUPAC name is 1-(1-benzyl-1,9-diazaspiro[4.5]decan-9-yl)-2-(4-chlorophenyl)ethanone.

Molecular Properties

Compound Name1-(1-benzyl-1,9-diazaspiro[4.5]decan-9-yl)-2-(4-chlorophenyl)ethanone
PubChem CID131647501
Molecular FormulaC23H27ClN2O
Molecular Weight382.94 g/mol
Exact Mass382.18
IUPAC Name1-(1-benzyl-1,9-diazaspiro[4.5]decan-9-yl)-2-(4-chlorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCCC2(CCCN2Cc2ccccc2)C1
InChIInChI=1S/C23H27ClN2O/c24-21-10-8-19(9-11-21)16-22(27)25-14-4-12-23(18-25)13-5-15-26(23)17-20-6-2-1-3-7-20/h1-3,6-11H,4-5,12-18H2
InChIKeyAJEBRTIJKUNDNG-UHFFFAOYSA-N
XLogP4.54
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.94
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[(5S)-1-[(4-chlorophenyl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-4-oxobutanoate
CID 97393313
1-[(5S)-1-[(4-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]-3-methoxypropan-1-one
CID 97393060
3-hydroxy-1-(2-phenylacetyl)piperidine-3-carboxylic acid
CID 146130229
2-methyl-1-[1-[(4-phenylphenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]propan-1-one
CID 131650091
[(5S)-1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl]-pyridin-4-ylmethanone
CID 95043573
2-(4-chlorophenyl)-1-[2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone
CID 97472463
2-(4-chlorophenyl)-1-[1-(1,3-thiazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-9-yl]ethanone
CID 134073855
[1-[(3-chlorophenyl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-pyridin-4-ylmethanone
CID 134078846
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
7-(benzenesulfonyl)-1-[(3-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonane
CID 118742677
2-(4-chlorophenyl)-1-[7-[(4-chlorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
CID 97408658
N-methyl-2-[7-(2-phenylacetyl)-1,7-diazaspiro[3.4]octan-1-yl]acetamide
CID 118745149

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-1,9-diazaspiro[4.5]decan-9-yl)-2-(4-chlorophenyl)ethanone?
The IUPAC name of 1-(1-benzyl-1,9-diazaspiro[4.5]decan-9-yl)-2-(4-chlorophenyl)ethanone (CID 131647501) is 1-(1-benzyl-1,9-diazaspiro[4.5]decan-9-yl)-2-(4-chlorophenyl)ethanone.
What is the SMILES notation for 1-(1-benzyl-1,9-diazaspiro[4.5]decan-9-yl)-2-(4-chlorophenyl)ethanone?
The canonical SMILES for 1-(1-benzyl-1,9-diazaspiro[4.5]decan-9-yl)-2-(4-chlorophenyl)ethanone is O=C(Cc1ccc(Cl)cc1)N1CCCC2(CCCN2Cc2ccccc2)C1.
What is the InChIKey of 1-(1-benzyl-1,9-diazaspiro[4.5]decan-9-yl)-2-(4-chlorophenyl)ethanone?
The InChIKey is AJEBRTIJKUNDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O/c24-21-10-8-19(9-11-21)16-22(27)25-14-4-12-23(18-25)13-5-15-26(23)17-20-6-2-1-3-7-20/h1-3,6-11H,4-5,12-18H2.
What are the key properties of 1-(1-benzyl-1,9-diazaspiro[4.5]decan-9-yl)-2-(4-chlorophenyl)ethanone?
1-(1-benzyl-1,9-diazaspiro[4.5]decan-9-yl)-2-(4-chlorophenyl)ethanone has a molecular weight of 382.94 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-1,9-diazaspiro[4.5]decan-9-yl)-2-(4-chlorophenyl)ethanone is sourced from PubChem (CID 131647501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).