1-(3-chloro-5-methylbenzoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one

C19H25ClN2O2 — CID 162629419

IUPAC1-(3-chloro-5-methylbenzoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCCCN1CCCC2(CCCN2C(=O)c2cc(C)cc(Cl)c2)C1=O
InChIInChI=1S/C19H25ClN2O2/c1-3-8-21-9-4-6-19(18(21)24)7-5-10-22(19)17(23)15-11-14(2)12-16(20)13-15/h11-13H,3-10H2,1-2H3
InChIKeyPNCOQOJVGZNBJQ-UHFFFAOYSA-N
MW348.87 g/mol
LogP3.66
Rot. Bonds3

About 1-(3-chloro-5-methylbenzoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one

1-(3-chloro-5-methylbenzoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162629419) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is 1-(3-chloro-5-methylbenzoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-(3-chloro-5-methylbenzoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162629419
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name1-(3-chloro-5-methylbenzoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCCCN1CCCC2(CCCN2C(=O)c2cc(C)cc(Cl)c2)C1=O
InChIInChI=1S/C19H25ClN2O2/c1-3-8-21-9-4-6-19(18(21)24)7-5-10-22(19)17(23)15-11-14(2)12-16(20)13-15/h11-13H,3-10H2,1-2H3
InChIKeyPNCOQOJVGZNBJQ-UHFFFAOYSA-N
XLogP3.66
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-5-methylbenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977097
1-(3-methyl-1,2-oxazole-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162634313
1-(2-methyl-3H-benzimidazole-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162628389
1-[2-[(4-methylphenyl)methyl]benzoyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162631168
1-[3-(2,4-dimethylphenyl)propanoyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162625940
1-(4-fluoro-3-methylbenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163306693
1-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162637228
9-methyl-1-(5-methylpyridine-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163316091
9-benzyl-1-(4-fluoro-3-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162625491
1-(3-phenylpropanoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162638324
1-(3,5-difluorobenzoyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one
CID 162629447
1-(2-chloro-6-fluoro-3-methylbenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 164696260

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methylbenzoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-(3-chloro-5-methylbenzoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one (CID 162629419) is 1-(3-chloro-5-methylbenzoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-(3-chloro-5-methylbenzoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-(3-chloro-5-methylbenzoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one is CCCN1CCCC2(CCCN2C(=O)c2cc(C)cc(Cl)c2)C1=O.
What is the InChIKey of 1-(3-chloro-5-methylbenzoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is PNCOQOJVGZNBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O2/c1-3-8-21-9-4-6-19(18(21)24)7-5-10-22(19)17(23)15-11-14(2)12-16(20)13-15/h11-13H,3-10H2,1-2H3.
What are the key properties of 1-(3-chloro-5-methylbenzoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one?
1-(3-chloro-5-methylbenzoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 348.87 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methylbenzoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162629419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).