9-cyclopropyl-1-[3-(3-methoxyphenyl)benzoyl]-1,9-diazaspiro[4.5]decan-10-one

C25H28N2O3 — CID 162637277

IUPAC9-cyclopropyl-1-[3-(3-methoxyphenyl)benzoyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCOc1cccc(-c2cccc(C(=O)N3CCCC34CCCN(C3CC3)C4=O)c2)c1
InChIInChI=1S/C25H28N2O3/c1-30-22-9-3-7-19(17-22)18-6-2-8-20(16-18)23(28)27-15-5-13-25(27)12-4-14-26(24(25)29)21-10-11-21/h2-3,6-9,16-17,21H,4-5,10-15H2,1H3
InChIKeyAYULFACGOVKFMA-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.12
Rot. Bonds4

About 9-cyclopropyl-1-[3-(3-methoxyphenyl)benzoyl]-1,9-diazaspiro[4.5]decan-10-one

9-cyclopropyl-1-[3-(3-methoxyphenyl)benzoyl]-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162637277) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is 9-cyclopropyl-1-[3-(3-methoxyphenyl)benzoyl]-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-cyclopropyl-1-[3-(3-methoxyphenyl)benzoyl]-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162637277
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name9-cyclopropyl-1-[3-(3-methoxyphenyl)benzoyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCOc1cccc(-c2cccc(C(=O)N3CCCC34CCCN(C3CC3)C4=O)c2)c1
InChIInChI=1S/C25H28N2O3/c1-30-22-9-3-7-19(17-22)18-6-2-8-20(16-18)23(28)27-15-5-13-25(27)12-4-14-26(24(25)29)21-10-11-21/h2-3,6-9,16-17,21H,4-5,10-15H2,1H3
InChIKeyAYULFACGOVKFMA-UHFFFAOYSA-N
XLogP4.12
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(4-hydroxycyclohexyl)-1-(3-methoxy-4-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162629049
9-(4-hydroxycyclohexyl)-1-[3-(3-methoxyphenyl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162635318
9-cyclopropyl-1-(4-propan-2-yloxybenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163307894
1-(4-tert-butylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one
CID 162628244
(4-hydroxy-1-azaspiro[4.4]nonan-1-yl)-(3-methoxyphenyl)methanone
CID 122135977
1-(2-chloro-5-methylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one
CID 163317759
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(3-methoxyphenyl)methanone
CID 110715186
1-(2-chloro-6-fluorobenzoyl)-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162625884
1-[1-(3-methoxybenzoyl)piperidin-4-yl]-1,3-diazinan-2-one
CID 134794616
methyl 4-[3-(3-methoxyphenyl)benzoyl]piperazine-1-carboxylate
CID 134801650
1-(4-chloro-1H-indole-2-carbonyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one
CID 162628262
N-cyclopropyl-1-[3-(3-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide
CID 134800399

Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-1-[3-(3-methoxyphenyl)benzoyl]-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-cyclopropyl-1-[3-(3-methoxyphenyl)benzoyl]-1,9-diazaspiro[4.5]decan-10-one (CID 162637277) is 9-cyclopropyl-1-[3-(3-methoxyphenyl)benzoyl]-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-cyclopropyl-1-[3-(3-methoxyphenyl)benzoyl]-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-cyclopropyl-1-[3-(3-methoxyphenyl)benzoyl]-1,9-diazaspiro[4.5]decan-10-one is COc1cccc(-c2cccc(C(=O)N3CCCC34CCCN(C3CC3)C4=O)c2)c1.
What is the InChIKey of 9-cyclopropyl-1-[3-(3-methoxyphenyl)benzoyl]-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is AYULFACGOVKFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-30-22-9-3-7-19(17-22)18-6-2-8-20(16-18)23(28)27-15-5-13-25(27)12-4-14-26(24(25)29)21-10-11-21/h2-3,6-9,16-17,21H,4-5,10-15H2,1H3.
What are the key properties of 9-cyclopropyl-1-[3-(3-methoxyphenyl)benzoyl]-1,9-diazaspiro[4.5]decan-10-one?
9-cyclopropyl-1-[3-(3-methoxyphenyl)benzoyl]-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 404.51 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-1-[3-(3-methoxyphenyl)benzoyl]-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162637277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).