(5R,9S)-1-benzyl-9-(3,4,5-trimethoxyphenyl)-1,7-diazaspiro[4.4]nonane-2,6-dione

C23H26N2O5 — CID 102372500

IUPAC(5R,9S)-1-benzyl-9-(3,4,5-trimethoxyphenyl)-1,7-diazaspiro[4.4]nonane-2,6-dione
SMILESCOc1cc([C@H]2CNC(=O)[C@@]23CCC(=O)N3Cc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C23H26N2O5/c1-28-18-11-16(12-19(29-2)21(18)30-3)17-13-24-22(27)23(17)10-9-20(26)25(23)14-15-7-5-4-6-8-15/h4-8,11-12,17H,9-10,13-14H2,1-3H3,(H,24,27)/t17-,23-/m1/s1
InChIKeyFTUZZDNHHYOSHW-UZUQRXQVSA-N
MW410.47 g/mol
LogP2.49
Rot. Bonds6

About (5R,9S)-1-benzyl-9-(3,4,5-trimethoxyphenyl)-1,7-diazaspiro[4.4]nonane-2,6-dione

(5R,9S)-1-benzyl-9-(3,4,5-trimethoxyphenyl)-1,7-diazaspiro[4.4]nonane-2,6-dione (PubChem CID 102372500) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is (5R,9S)-1-benzyl-9-(3,4,5-trimethoxyphenyl)-1,7-diazaspiro[4.4]nonane-2,6-dione.

Molecular Properties

Compound Name(5R,9S)-1-benzyl-9-(3,4,5-trimethoxyphenyl)-1,7-diazaspiro[4.4]nonane-2,6-dione
PubChem CID102372500
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name(5R,9S)-1-benzyl-9-(3,4,5-trimethoxyphenyl)-1,7-diazaspiro[4.4]nonane-2,6-dione
SMILESCOc1cc([C@H]2CNC(=O)[C@@]23CCC(=O)N3Cc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C23H26N2O5/c1-28-18-11-16(12-19(29-2)21(18)30-3)17-13-24-22(27)23(17)10-9-20(26)25(23)14-15-7-5-4-6-8-15/h4-8,11-12,17H,9-10,13-14H2,1-3H3,(H,24,27)/t17-,23-/m1/s1
InChIKeyFTUZZDNHHYOSHW-UZUQRXQVSA-N
XLogP2.49
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5R,9S)-1-benzyl-9-(3,4,5-trimethoxyphenyl)-1,7-diazaspiro[4.4]nonane-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R,9R)-1-benzyl-9-(3,4,5-trimethoxyphenyl)-1,7-diazaspiro[4.4]nonane-2,6-dione
CID 102372501
(5S,9S)-1-benzyl-9-(2-methoxyphenyl)-1,7-diazaspiro[4.4]nonane-2,6-dione
CID 12968985
(4R)-6-benzyl-4-(3,4,5-trimethoxyphenyl)-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
CID 42547923
6-benzyl-4-(3,4,5-trimethoxyphenyl)-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
CID 18580741
N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46247157
5-benzyl-3-(3,4,5-trimethoxyphenyl)-2,3,3a,4,6,7-hexahydropyrazolo[4,3-c]pyridine
CID 110533658
6-(2-phenylethyl)-4-(3,4,5-trimethoxyphenyl)-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
CID 42956174
1'-benzyl-5,6-dimethoxyspiro[1,2-dihydroindene-3,3'-piperidine]-2',6'-dione
CID 102589038
3-(pyridin-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one
CID 3303570
1-benzyl-8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97372701
3-benzyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-one
CID 18464420
3-(pyridin-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one
CID 3775353

Frequently Asked Questions

What is the IUPAC name of (5R,9S)-1-benzyl-9-(3,4,5-trimethoxyphenyl)-1,7-diazaspiro[4.4]nonane-2,6-dione?
The IUPAC name of (5R,9S)-1-benzyl-9-(3,4,5-trimethoxyphenyl)-1,7-diazaspiro[4.4]nonane-2,6-dione (CID 102372500) is (5R,9S)-1-benzyl-9-(3,4,5-trimethoxyphenyl)-1,7-diazaspiro[4.4]nonane-2,6-dione.
What is the SMILES notation for (5R,9S)-1-benzyl-9-(3,4,5-trimethoxyphenyl)-1,7-diazaspiro[4.4]nonane-2,6-dione?
The canonical SMILES for (5R,9S)-1-benzyl-9-(3,4,5-trimethoxyphenyl)-1,7-diazaspiro[4.4]nonane-2,6-dione is COc1cc([C@H]2CNC(=O)[C@@]23CCC(=O)N3Cc2ccccc2)cc(OC)c1OC.
What is the InChIKey of (5R,9S)-1-benzyl-9-(3,4,5-trimethoxyphenyl)-1,7-diazaspiro[4.4]nonane-2,6-dione?
The InChIKey is FTUZZDNHHYOSHW-UZUQRXQVSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-28-18-11-16(12-19(29-2)21(18)30-3)17-13-24-22(27)23(17)10-9-20(26)25(23)14-15-7-5-4-6-8-15/h4-8,11-12,17H,9-10,13-14H2,1-3H3,(H,24,27)/t17-,23-/m1/s1.
What are the key properties of (5R,9S)-1-benzyl-9-(3,4,5-trimethoxyphenyl)-1,7-diazaspiro[4.4]nonane-2,6-dione?
(5R,9S)-1-benzyl-9-(3,4,5-trimethoxyphenyl)-1,7-diazaspiro[4.4]nonane-2,6-dione has a molecular weight of 410.47 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9S)-1-benzyl-9-(3,4,5-trimethoxyphenyl)-1,7-diazaspiro[4.4]nonane-2,6-dione is sourced from PubChem (CID 102372500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).