1-[1-[(4-chloro-3-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone

C18H25ClN2O — CID 145315822

IUPAC1-[1-[(4-chloro-3-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone
SMILESCC(=O)N1CCC2(CCCN2Cc2ccc(Cl)c(C)c2)CC1
InChIInChI=1S/C18H25ClN2O/c1-14-12-16(4-5-17(14)19)13-21-9-3-6-18(21)7-10-20(11-8-18)15(2)22/h4-5,12H,3,6-11,13H2,1-2H3
InChIKeyXSQFEAVHXDNYHJ-UHFFFAOYSA-N
MW320.86 g/mol
LogP3.63
Rot. Bonds2

About 1-[1-[(4-chloro-3-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone

1-[1-[(4-chloro-3-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone (PubChem CID 145315822) has the molecular formula C18H25ClN2O and a molecular weight of 320.86 g/mol. Its IUPAC name is 1-[1-[(4-chloro-3-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(4-chloro-3-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone
PubChem CID145315822
Molecular FormulaC18H25ClN2O
Molecular Weight320.86 g/mol
Exact Mass320.17
IUPAC Name1-[1-[(4-chloro-3-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone
SMILESCC(=O)N1CCC2(CCCN2Cc2ccc(Cl)c(C)c2)CC1
InChIInChI=1S/C18H25ClN2O/c1-14-12-16(4-5-17(14)19)13-21-9-3-6-18(21)7-10-20(11-8-18)15(2)22/h4-5,12H,3,6-11,13H2,1-2H3
InChIKeyXSQFEAVHXDNYHJ-UHFFFAOYSA-N
XLogP3.63
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[2-[1-[(3-chloro-4-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]pyrazol-3-yl]acetamide
CID 153094059
1-[1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 97493667
1-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one
CID 97493619
[1-[(3,4-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-[3-(prop-1-en-2-ylamino)pyrazol-1-yl]methanone
CID 159036793
4-[[8-(3-acetamidopyrazole-1-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-2-methylbenzamide
CID 157386313
3-(4-chloro-3-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 145472611
2-methyl-4-[[8-[3-(prop-1-en-2-ylamino)pyrazole-1-carbonyl]-1,8-diazaspiro[4.5]decan-1-yl]methyl]benzamide
CID 158375949
1-[(5S)-1-[(4-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]-3-methoxypropan-1-one
CID 97393060
3-(5-azaspiro[3.4]octan-5-ylmethyl)benzoic acid
CID 122033555
(3,5-dimethyl-1,2-oxazol-4-yl)-[1-[(3-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-9-yl]methanone
CID 131681549
1-[4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]ethanone
CID 123780997
2-(3-chlorophenoxy)-1-[1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-9-yl]ethanone
CID 131679577

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chloro-3-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone?
The IUPAC name of 1-[1-[(4-chloro-3-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone (CID 145315822) is 1-[1-[(4-chloro-3-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone.
What is the SMILES notation for 1-[1-[(4-chloro-3-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone?
The canonical SMILES for 1-[1-[(4-chloro-3-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone is CC(=O)N1CCC2(CCCN2Cc2ccc(Cl)c(C)c2)CC1.
What is the InChIKey of 1-[1-[(4-chloro-3-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone?
The InChIKey is XSQFEAVHXDNYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O/c1-14-12-16(4-5-17(14)19)13-21-9-3-6-18(21)7-10-20(11-8-18)15(2)22/h4-5,12H,3,6-11,13H2,1-2H3.
What are the key properties of 1-[1-[(4-chloro-3-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone?
1-[1-[(4-chloro-3-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone has a molecular weight of 320.86 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-chloro-3-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone is sourced from PubChem (CID 145315822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).