5-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(4-methylpent-2-enoyl)piperidin-4-yl]imidazolidine-2,4-dione

C24H32ClN3O4 — CID 74803749

IUPAC5-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(4-methylpent-2-enoyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCOCCN1C(=O)NC(Cc2ccccc2Cl)(C2CCN(C(=O)C=CC(C)C)CC2)C1=O
InChIInChI=1S/C24H32ClN3O4/c1-17(2)8-9-21(29)27-12-10-19(11-13-27)24(16-18-6-4-5-7-20(18)25)22(30)28(14-15-32-3)23(31)26-24/h4-9,17,19H,10-16H2,1-3H3,(H,26,31)
InChIKeyJGPUILSZNPAPCY-UHFFFAOYSA-N
MW461.99 g/mol
LogP3.27
Rot. Bonds8

About 5-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(4-methylpent-2-enoyl)piperidin-4-yl]imidazolidine-2,4-dione

5-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(4-methylpent-2-enoyl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 74803749) has the molecular formula C24H32ClN3O4 and a molecular weight of 461.99 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(4-methylpent-2-enoyl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(4-methylpent-2-enoyl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID74803749
Molecular FormulaC24H32ClN3O4
Molecular Weight461.99 g/mol
Exact Mass461.21
IUPAC Name5-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(4-methylpent-2-enoyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCOCCN1C(=O)NC(Cc2ccccc2Cl)(C2CCN(C(=O)C=CC(C)C)CC2)C1=O
InChIInChI=1S/C24H32ClN3O4/c1-17(2)8-9-21(29)27-12-10-19(11-13-27)24(16-18-6-4-5-7-20(18)25)22(30)28(14-15-32-3)23(31)26-24/h4-9,17,19H,10-16H2,1-3H3,(H,26,31)
InChIKeyJGPUILSZNPAPCY-UHFFFAOYSA-N
XLogP3.27
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.99
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(2-phenylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45206652
5-[(2-chlorophenyl)methyl]-5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
CID 45184206
(5S)-5-[(2-chlorophenyl)methyl]-5-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
CID 42468381
(5R)-3-[3-(dimethylamino)propyl]-5-[(3-fluorophenyl)methyl]-5-[1-[(E)-4-methylpent-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42275547
5-[(2-chlorophenyl)methyl]-3-(cyclopropylmethyl)-5-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45212407
(5R)-5-(1-benzylpiperidin-4-yl)-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 26275267
(5S)-5-[1-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
CID 42317181
(5S)-5-[(2-chlorophenyl)methyl]-3-(cyclopropylmethyl)-5-[1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42466806
5-[(2-chlorophenyl)methyl]-3-(cyclopropylmethyl)-5-[1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45193861
(5S)-3-[3-(dimethylamino)propyl]-5-[1-[(2R)-2-methylbutanoyl]piperidin-4-yl]-5-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 42435568
3-[3-(dimethylamino)propyl]-5-[1-(2-methylbutanoyl)piperidin-4-yl]-5-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 45202182
(5R)-3-[3-(dimethylamino)propyl]-5-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]-5-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 42435564

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(4-methylpent-2-enoyl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(4-methylpent-2-enoyl)piperidin-4-yl]imidazolidine-2,4-dione (CID 74803749) is 5-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(4-methylpent-2-enoyl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(4-methylpent-2-enoyl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(4-methylpent-2-enoyl)piperidin-4-yl]imidazolidine-2,4-dione is COCCN1C(=O)NC(Cc2ccccc2Cl)(C2CCN(C(=O)C=CC(C)C)CC2)C1=O.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(4-methylpent-2-enoyl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is JGPUILSZNPAPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN3O4/c1-17(2)8-9-21(29)27-12-10-19(11-13-27)24(16-18-6-4-5-7-20(18)25)22(30)28(14-15-32-3)23(31)26-24/h4-9,17,19H,10-16H2,1-3H3,(H,26,31).
What are the key properties of 5-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(4-methylpent-2-enoyl)piperidin-4-yl]imidazolidine-2,4-dione?
5-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(4-methylpent-2-enoyl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 461.99 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(4-methylpent-2-enoyl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 74803749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).