8-(2-chloro-5-methoxybenzoyl)-2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-3-one

C20H25ClN2O3 — CID 155874421

IUPAC8-(2-chloro-5-methoxybenzoyl)-2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOc1ccc(Cl)c(C(=O)N2CCC3(CC2)CC(=O)N(CC2CC2)C3)c1
InChIInChI=1S/C20H25ClN2O3/c1-26-15-4-5-17(21)16(10-15)19(25)22-8-6-20(7-9-22)11-18(24)23(13-20)12-14-2-3-14/h4-5,10,14H,2-3,6-9,11-13H2,1H3
InChIKeyAKZHEZPNUOAVQL-UHFFFAOYSA-N
MW376.88 g/mol
LogP3.21
Rot. Bonds4

About 8-(2-chloro-5-methoxybenzoyl)-2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-3-one

8-(2-chloro-5-methoxybenzoyl)-2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 155874421) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is 8-(2-chloro-5-methoxybenzoyl)-2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(2-chloro-5-methoxybenzoyl)-2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID155874421
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Name8-(2-chloro-5-methoxybenzoyl)-2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOc1ccc(Cl)c(C(=O)N2CCC3(CC2)CC(=O)N(CC2CC2)C3)c1
InChIInChI=1S/C20H25ClN2O3/c1-26-15-4-5-17(21)16(10-15)19(25)22-8-6-20(7-9-22)11-18(24)23(13-20)12-14-2-3-14/h4-5,10,14H,2-3,6-9,11-13H2,1H3
InChIKeyAKZHEZPNUOAVQL-UHFFFAOYSA-N
XLogP3.21
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-5-methoxyphenyl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418084
(2-chloro-5-methoxyphenyl)-piperidin-1-ylmethanone
CID 164894070
2-(cyclopropylmethyl)-8-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131686898
2-(cyclopropylmethyl)-9-(2-methoxy-6-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72854155
2-(cyclopropylmethyl)-9-[2-(dimethylamino)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72894680
(2-bromo-5-methoxyphenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 55885511
(5S)-2-(5-chloro-2-methoxybenzoyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97140685
2-[(4-methoxyphenyl)methyl]-8-[2-(trifluoromethyl)pyridine-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 131691683
2-(cyclopropylmethyl)-9-(4-hydroxybenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72878667
8-(2,5-dimethylfuran-3-carbonyl)-2-[[(2R)-oxolan-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97191551
2-(cyclopropylmethyl)-9-(4-methylpyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72859362
(5S)-7-(cyclopropylmethyl)-2-(3-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26405234

Frequently Asked Questions

What is the IUPAC name of 8-(2-chloro-5-methoxybenzoyl)-2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(2-chloro-5-methoxybenzoyl)-2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-3-one (CID 155874421) is 8-(2-chloro-5-methoxybenzoyl)-2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(2-chloro-5-methoxybenzoyl)-2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(2-chloro-5-methoxybenzoyl)-2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-3-one is COc1ccc(Cl)c(C(=O)N2CCC3(CC2)CC(=O)N(CC2CC2)C3)c1.
What is the InChIKey of 8-(2-chloro-5-methoxybenzoyl)-2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is AKZHEZPNUOAVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3/c1-26-15-4-5-17(21)16(10-15)19(25)22-8-6-20(7-9-22)11-18(24)23(13-20)12-14-2-3-14/h4-5,10,14H,2-3,6-9,11-13H2,1H3.
What are the key properties of 8-(2-chloro-5-methoxybenzoyl)-2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-3-one?
8-(2-chloro-5-methoxybenzoyl)-2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 376.88 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chloro-5-methoxybenzoyl)-2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 155874421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).