(5R)-3-(2,3-dihydro-1H-inden-2-yl)-5-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione

C28H37N3O2 — CID 42365603

IUPAC(5R)-3-(2,3-dihydro-1H-inden-2-yl)-5-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
SMILESCC1(C)[C@H]2CC=C(CN3CCC([C@@]4(C)NC(=O)N(C5Cc6ccccc6C5)C4=O)CC3)[C@@H]1C2
InChIInChI=1S/C28H37N3O2/c1-27(2)22-9-8-20(24(27)16-22)17-30-12-10-21(11-13-30)28(3)25(32)31(26(33)29-28)23-14-18-6-4-5-7-19(18)15-23/h4-8,21-24H,9-17H2,1-3H3,(H,29,33)/t22-,24-,28+/m0/s1
InChIKeyJEBINKFECXZPDP-SNUWEPMUSA-N
MW447.62 g/mol
LogP4.17
Rot. Bonds4

About (5R)-3-(2,3-dihydro-1H-inden-2-yl)-5-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione

(5R)-3-(2,3-dihydro-1H-inden-2-yl)-5-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione (PubChem CID 42365603) has the molecular formula C28H37N3O2 and a molecular weight of 447.62 g/mol. Its IUPAC name is (5R)-3-(2,3-dihydro-1H-inden-2-yl)-5-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-(2,3-dihydro-1H-inden-2-yl)-5-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
PubChem CID42365603
Molecular FormulaC28H37N3O2
Molecular Weight447.62 g/mol
Exact Mass447.29
IUPAC Name(5R)-3-(2,3-dihydro-1H-inden-2-yl)-5-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
SMILESCC1(C)[C@H]2CC=C(CN3CCC([C@@]4(C)NC(=O)N(C5Cc6ccccc6C5)C4=O)CC3)[C@@H]1C2
InChIInChI=1S/C28H37N3O2/c1-27(2)22-9-8-20(24(27)16-22)17-30-12-10-21(11-13-30)28(3)25(32)31(26(33)29-28)23-14-18-6-4-5-7-19(18)15-23/h4-8,21-24H,9-17H2,1-3H3,(H,29,33)/t22-,24-,28+/m0/s1
InChIKeyJEBINKFECXZPDP-SNUWEPMUSA-N
XLogP4.17
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.62
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5R)-3-(2,3-dihydro-1H-inden-2-yl)-5-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-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

3-(2,3-dihydro-1H-inden-2-yl)-5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 45174985
3-(2,3-dihydro-1H-inden-2-yl)-8-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26234054
3-(2,3-dihydro-1H-inden-2-yl)-5-methyl-5-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45172231
3-(2,3-dihydro-1H-inden-2-yl)-5-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 45169169
5-[1-[2-(benzimidazol-1-yl)acetyl]piperidin-4-yl]-3-(2,3-dihydro-1H-inden-2-yl)-5-methylimidazolidine-2,4-dione
CID 45174056
[1-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]piperidin-4-yl]methanamine
CID 69455483
(5S)-3-(2,3-dihydro-1H-inden-2-yl)-5-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 42382085
3,5-dicyclopropyl-5-methylimidazolidine-2,4-dione
CID 64669282
1-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-4-(2,3-dimethylphenyl)piperazine
CID 7441268
8-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-1-methyl-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26214852
4-[2-(benzenesulfonyl)ethyl]-1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-1,4-diazepan-5-one
CID 42500315
(5S)-5-methyl-5-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 42372566

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(2,3-dihydro-1H-inden-2-yl)-5-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-(2,3-dihydro-1H-inden-2-yl)-5-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione (CID 42365603) is (5R)-3-(2,3-dihydro-1H-inden-2-yl)-5-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-(2,3-dihydro-1H-inden-2-yl)-5-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-(2,3-dihydro-1H-inden-2-yl)-5-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione is CC1(C)[C@H]2CC=C(CN3CCC([C@@]4(C)NC(=O)N(C5Cc6ccccc6C5)C4=O)CC3)[C@@H]1C2.
What is the InChIKey of (5R)-3-(2,3-dihydro-1H-inden-2-yl)-5-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The InChIKey is JEBINKFECXZPDP-SNUWEPMUSA-N. The full InChI is InChI=1S/C28H37N3O2/c1-27(2)22-9-8-20(24(27)16-22)17-30-12-10-21(11-13-30)28(3)25(32)31(26(33)29-28)23-14-18-6-4-5-7-19(18)15-23/h4-8,21-24H,9-17H2,1-3H3,(H,29,33)/t22-,24-,28+/m0/s1.
What are the key properties of (5R)-3-(2,3-dihydro-1H-inden-2-yl)-5-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
(5R)-3-(2,3-dihydro-1H-inden-2-yl)-5-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione has a molecular weight of 447.62 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(2,3-dihydro-1H-inden-2-yl)-5-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 42365603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).