8-(3-chlorobenzoyl)-4-methyl-3-(2-phenoxyethyl)-4-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C28H28ClN3O4 — CID 134805267

IUPAC8-(3-chlorobenzoyl)-4-methyl-3-(2-phenoxyethyl)-4-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC1(c2cccnc2)N(CCOc2ccccc2)C(=O)OC12CCN(C(=O)c1cccc(Cl)c1)CC2
InChIInChI=1S/C28H28ClN3O4/c1-27(22-8-6-14-30-20-22)28(36-26(34)32(27)17-18-35-24-10-3-2-4-11-24)12-15-31(16-13-28)25(33)21-7-5-9-23(29)19-21/h2-11,14,19-20H,12-13,15-18H2,1H3
InChIKeyGSMTWQTWCVPYRN-UHFFFAOYSA-N
MW506.00 g/mol
LogP5.16
Rot. Bonds6

About 8-(3-chlorobenzoyl)-4-methyl-3-(2-phenoxyethyl)-4-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-(3-chlorobenzoyl)-4-methyl-3-(2-phenoxyethyl)-4-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 134805267) has the molecular formula C28H28ClN3O4 and a molecular weight of 506.00 g/mol. Its IUPAC name is 8-(3-chlorobenzoyl)-4-methyl-3-(2-phenoxyethyl)-4-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(3-chlorobenzoyl)-4-methyl-3-(2-phenoxyethyl)-4-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID134805267
Molecular FormulaC28H28ClN3O4
Molecular Weight506.00 g/mol
Exact Mass505.18
IUPAC Name8-(3-chlorobenzoyl)-4-methyl-3-(2-phenoxyethyl)-4-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC1(c2cccnc2)N(CCOc2ccccc2)C(=O)OC12CCN(C(=O)c1cccc(Cl)c1)CC2
InChIInChI=1S/C28H28ClN3O4/c1-27(22-8-6-14-30-20-22)28(36-26(34)32(27)17-18-35-24-10-3-2-4-11-24)12-15-31(16-13-28)25(33)21-7-5-9-23(29)19-21/h2-11,14,19-20H,12-13,15-18H2,1H3
InChIKeyGSMTWQTWCVPYRN-UHFFFAOYSA-N
XLogP5.16
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.00
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-(3-chlorobenzoyl)-4-methyl-3-(2-phenoxyethyl)-4-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

1-(3-chlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433186
(3-chlorophenyl)-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110638153
8-(5-methylpyridine-3-carbonyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70736346
2-(3-chlorobenzoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131658107
[4-[3-(2-phenoxyethoxy)benzoyl]piperazin-1-yl]-[3-(2-phenoxyethoxy)phenyl]methanone
CID 4955546
(3-chlorophenyl)-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 110637923
(3-chlorophenyl)-(4-morpholin-4-yl-4-phenylpiperidin-1-yl)methanone
CID 110409260
1-(3-chlorobenzoyl)-4-ethylpiperidine-4-carboxylic acid
CID 63124878
(3-chlorophenyl)-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]methanone
CID 4745404
(3,4-dimethoxyphenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
CID 16668120
(4R)-8-(3-chlorobenzoyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 97476567
(3-chlorophenyl)-[4-(5-phenyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 35036906

Frequently Asked Questions

What is the IUPAC name of 8-(3-chlorobenzoyl)-4-methyl-3-(2-phenoxyethyl)-4-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(3-chlorobenzoyl)-4-methyl-3-(2-phenoxyethyl)-4-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 134805267) is 8-(3-chlorobenzoyl)-4-methyl-3-(2-phenoxyethyl)-4-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(3-chlorobenzoyl)-4-methyl-3-(2-phenoxyethyl)-4-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(3-chlorobenzoyl)-4-methyl-3-(2-phenoxyethyl)-4-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC1(c2cccnc2)N(CCOc2ccccc2)C(=O)OC12CCN(C(=O)c1cccc(Cl)c1)CC2.
What is the InChIKey of 8-(3-chlorobenzoyl)-4-methyl-3-(2-phenoxyethyl)-4-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is GSMTWQTWCVPYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClN3O4/c1-27(22-8-6-14-30-20-22)28(36-26(34)32(27)17-18-35-24-10-3-2-4-11-24)12-15-31(16-13-28)25(33)21-7-5-9-23(29)19-21/h2-11,14,19-20H,12-13,15-18H2,1H3.
What are the key properties of 8-(3-chlorobenzoyl)-4-methyl-3-(2-phenoxyethyl)-4-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(3-chlorobenzoyl)-4-methyl-3-(2-phenoxyethyl)-4-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 506.00 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chlorobenzoyl)-4-methyl-3-(2-phenoxyethyl)-4-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 134805267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).