(5R)-5-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-5-[(2-chlorophenyl)methyl]imidazolidine-2,4-dione

C26H30ClN3O3 — CID 42369335

IUPAC(5R)-5-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-5-[(2-chlorophenyl)methyl]imidazolidine-2,4-dione
SMILESCC(C)(C)c1ccc(C(=O)N2CCC([C@@]3(Cc4ccccc4Cl)NC(=O)NC3=O)CC2)cc1
InChIInChI=1S/C26H30ClN3O3/c1-25(2,3)19-10-8-17(9-11-19)22(31)30-14-12-20(13-15-30)26(23(32)28-24(33)29-26)16-18-6-4-5-7-21(18)27/h4-11,20H,12-16H2,1-3H3,(H2,28,29,32,33)/t26-/m1/s1
InChIKeyXTYSBWULGMAZAQ-AREMUKBSSA-N
MW468.00 g/mol
LogP4.31
Rot. Bonds4

About (5R)-5-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-5-[(2-chlorophenyl)methyl]imidazolidine-2,4-dione

(5R)-5-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-5-[(2-chlorophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 42369335) has the molecular formula C26H30ClN3O3 and a molecular weight of 468.00 g/mol. Its IUPAC name is (5R)-5-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-5-[(2-chlorophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-5-[(2-chlorophenyl)methyl]imidazolidine-2,4-dione
PubChem CID42369335
Molecular FormulaC26H30ClN3O3
Molecular Weight468.00 g/mol
Exact Mass467.20
IUPAC Name(5R)-5-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-5-[(2-chlorophenyl)methyl]imidazolidine-2,4-dione
SMILESCC(C)(C)c1ccc(C(=O)N2CCC([C@@]3(Cc4ccccc4Cl)NC(=O)NC3=O)CC2)cc1
InChIInChI=1S/C26H30ClN3O3/c1-25(2,3)19-10-8-17(9-11-19)22(31)30-14-12-20(13-15-30)26(23(32)28-24(33)29-26)16-18-6-4-5-7-21(18)27/h4-11,20H,12-16H2,1-3H3,(H2,28,29,32,33)/t26-/m1/s1
InChIKeyXTYSBWULGMAZAQ-AREMUKBSSA-N
XLogP4.31
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.00
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[1-(4-acetylbenzoyl)piperidin-4-yl]-5-[(2-chlorophenyl)methyl]imidazolidine-2,4-dione
CID 45196872
5-[(2-chlorophenyl)methyl]-5-[1-(2-cyclopropylacetyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 56854186
(5S)-5-[(2-fluorophenyl)methyl]-5-[1-[(2R)-2-phenylpropanoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42322122
5-[(2-chlorophenyl)methyl]-5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
CID 45184206
5-ethyl-5-[1-(2-methoxypyrimidine-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 56721489
(5R)-5-[(2-fluorophenyl)methyl]-5-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42163156
1-(4-tert-butylbenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 113006609
1-(4-tert-butylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 113003956
[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
CID 1241593
(4-benzylpiperidin-1-yl)-[1-(4-tert-butylbenzoyl)piperidin-4-yl]methanone
CID 3411231
1-(4-tert-butylbenzoyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 1003994
5-[(2-fluorophenyl)methyl]-5-[1-(3-methylsulfanylpropyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 126462350

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-5-[(2-chlorophenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-5-[(2-chlorophenyl)methyl]imidazolidine-2,4-dione (CID 42369335) is (5R)-5-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-5-[(2-chlorophenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-5-[(2-chlorophenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-5-[(2-chlorophenyl)methyl]imidazolidine-2,4-dione is CC(C)(C)c1ccc(C(=O)N2CCC([C@@]3(Cc4ccccc4Cl)NC(=O)NC3=O)CC2)cc1.
What is the InChIKey of (5R)-5-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-5-[(2-chlorophenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is XTYSBWULGMAZAQ-AREMUKBSSA-N. The full InChI is InChI=1S/C26H30ClN3O3/c1-25(2,3)19-10-8-17(9-11-19)22(31)30-14-12-20(13-15-30)26(23(32)28-24(33)29-26)16-18-6-4-5-7-21(18)27/h4-11,20H,12-16H2,1-3H3,(H2,28,29,32,33)/t26-/m1/s1.
What are the key properties of (5R)-5-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-5-[(2-chlorophenyl)methyl]imidazolidine-2,4-dione?
(5R)-5-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-5-[(2-chlorophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 468.00 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-5-[(2-chlorophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 42369335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).