(2R)-2-benzyl-4-cyclopropyl-8-(4-methoxybenzoyl)-1,4,8-triazaspiro[4.5]decan-3-one

C25H29N3O3 — CID 93145714

IUPAC(2R)-2-benzyl-4-cyclopropyl-8-(4-methoxybenzoyl)-1,4,8-triazaspiro[4.5]decan-3-one
SMILESCOc1ccc(C(=O)N2CCC3(CC2)N[C@H](Cc2ccccc2)C(=O)N3C2CC2)cc1
InChIInChI=1S/C25H29N3O3/c1-31-21-11-7-19(8-12-21)23(29)27-15-13-25(14-16-27)26-22(17-18-5-3-2-4-6-18)24(30)28(25)20-9-10-20/h2-8,11-12,20,22,26H,9-10,13-17H2,1H3/t22-/m1/s1
InChIKeyMNGBMWMBFIHZOG-JOCHJYFZSA-N
MW419.53 g/mol
LogP2.83
Rot. Bonds5

About (2R)-2-benzyl-4-cyclopropyl-8-(4-methoxybenzoyl)-1,4,8-triazaspiro[4.5]decan-3-one

(2R)-2-benzyl-4-cyclopropyl-8-(4-methoxybenzoyl)-1,4,8-triazaspiro[4.5]decan-3-one (PubChem CID 93145714) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is (2R)-2-benzyl-4-cyclopropyl-8-(4-methoxybenzoyl)-1,4,8-triazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name(2R)-2-benzyl-4-cyclopropyl-8-(4-methoxybenzoyl)-1,4,8-triazaspiro[4.5]decan-3-one
PubChem CID93145714
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name(2R)-2-benzyl-4-cyclopropyl-8-(4-methoxybenzoyl)-1,4,8-triazaspiro[4.5]decan-3-one
SMILESCOc1ccc(C(=O)N2CCC3(CC2)N[C@H](Cc2ccccc2)C(=O)N3C2CC2)cc1
InChIInChI=1S/C25H29N3O3/c1-31-21-11-7-19(8-12-21)23(29)27-15-13-25(14-16-27)26-22(17-18-5-3-2-4-6-18)24(30)28(25)20-9-10-20/h2-8,11-12,20,22,26H,9-10,13-17H2,1H3/t22-/m1/s1
InChIKeyMNGBMWMBFIHZOG-JOCHJYFZSA-N
XLogP2.83
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-benzyl-4-cyclopropyl-8-(4-methoxybenzoyl)-1,4,8-triazaspiro[4.5]decan-3-one with MolForge

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Related Compounds

(2S)-2,4-dibenzyl-8-(3-methoxybenzoyl)-1,4,8-triazaspiro[4.5]decan-3-one
CID 67166062
2-benzyl-8-[2-(4-methoxyphenyl)acetyl]-4-methyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 67164883
(2S)-2,4-dibenzyl-8-(4-chlorobenzoyl)-1,4,8-triazaspiro[4.5]decan-3-one
CID 67165685
(2S)-2,4-dibenzyl-8-(3-methoxybenzoyl)-1,4,8-triazaspiro[4.5]decan-3-one;(2S)-2,4-dibenzyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 161391128
(2S)-2-benzyl-4-cyclopropyl-3-oxo-N-[4-(trifluoromethyl)phenyl]-1,4,8-triazaspiro[4.5]decane-8-carboxamide
CID 97478735
ethyl 2-[2-benzyl-8-(naphthalene-2-carbonyl)-3-oxo-1,4,8-triazaspiro[4.5]decan-4-yl]acetate
CID 91387809
2-benzyl-8-(2-ethylbutanoyl)-4-[(4-methoxyphenyl)methyl]-1,4,8-triazaspiro[4.5]decan-3-one
CID 11634056
ethyl 2-[2-benzyl-3-oxo-8-(4-phenylbenzoyl)-1,4,8-triazaspiro[4.5]decan-4-yl]acetate
CID 90787183
(2S)-2-benzyl-4-[(4-fluorophenyl)methyl]-8-(4-methylbenzoyl)-1,4,8-triazaspiro[4.5]decan-3-one
CID 93143579
(2S)-2-benzyl-8-(2-ethylbutanoyl)-4-[(4-methoxyphenyl)methyl]-1,4,8-triazaspiro[4.5]decan-3-one;hydrochloride
CID 67165911
(2S)-2-benzyl-8-(4-chlorobenzoyl)-4-[(4-fluorophenyl)methyl]-1,4,8-triazaspiro[4.5]decan-3-one
CID 67165898
3-benzyl-8-(4-methoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 16812524

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-4-cyclopropyl-8-(4-methoxybenzoyl)-1,4,8-triazaspiro[4.5]decan-3-one?
The IUPAC name of (2R)-2-benzyl-4-cyclopropyl-8-(4-methoxybenzoyl)-1,4,8-triazaspiro[4.5]decan-3-one (CID 93145714) is (2R)-2-benzyl-4-cyclopropyl-8-(4-methoxybenzoyl)-1,4,8-triazaspiro[4.5]decan-3-one.
What is the SMILES notation for (2R)-2-benzyl-4-cyclopropyl-8-(4-methoxybenzoyl)-1,4,8-triazaspiro[4.5]decan-3-one?
The canonical SMILES for (2R)-2-benzyl-4-cyclopropyl-8-(4-methoxybenzoyl)-1,4,8-triazaspiro[4.5]decan-3-one is COc1ccc(C(=O)N2CCC3(CC2)N[C@H](Cc2ccccc2)C(=O)N3C2CC2)cc1.
What is the InChIKey of (2R)-2-benzyl-4-cyclopropyl-8-(4-methoxybenzoyl)-1,4,8-triazaspiro[4.5]decan-3-one?
The InChIKey is MNGBMWMBFIHZOG-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-31-21-11-7-19(8-12-21)23(29)27-15-13-25(14-16-27)26-22(17-18-5-3-2-4-6-18)24(30)28(25)20-9-10-20/h2-8,11-12,20,22,26H,9-10,13-17H2,1H3/t22-/m1/s1.
What are the key properties of (2R)-2-benzyl-4-cyclopropyl-8-(4-methoxybenzoyl)-1,4,8-triazaspiro[4.5]decan-3-one?
(2R)-2-benzyl-4-cyclopropyl-8-(4-methoxybenzoyl)-1,4,8-triazaspiro[4.5]decan-3-one has a molecular weight of 419.53 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-4-cyclopropyl-8-(4-methoxybenzoyl)-1,4,8-triazaspiro[4.5]decan-3-one is sourced from PubChem (CID 93145714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).