(5S)-5-[(2-chlorophenyl)methyl]-5-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione

C25H32ClN3O4 — CID 42468381

IUPAC(5S)-5-[(2-chlorophenyl)methyl]-5-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
SMILESCOCCN1C(=O)N[C@@](Cc2ccccc2Cl)(C2CCN(C(=O)[C@H]3CC=CCC3)CC2)C1=O
InChIInChI=1S/C25H32ClN3O4/c1-33-16-15-29-23(31)25(27-24(29)32,17-19-9-5-6-10-21(19)26)20-11-13-28(14-12-20)22(30)18-7-3-2-4-8-18/h2-3,5-6,9-10,18,20H,4,7-8,11-17H2,1H3,(H,27,32)/t18-,25-/m0/s1
InChIKeyWCONDSRARWENFW-BVZFJXPGSA-N
MW474.00 g/mol
LogP3.41
Rot. Bonds7

About (5S)-5-[(2-chlorophenyl)methyl]-5-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione

(5S)-5-[(2-chlorophenyl)methyl]-5-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione (PubChem CID 42468381) has the molecular formula C25H32ClN3O4 and a molecular weight of 474.00 g/mol. Its IUPAC name is (5S)-5-[(2-chlorophenyl)methyl]-5-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(2-chlorophenyl)methyl]-5-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
PubChem CID42468381
Molecular FormulaC25H32ClN3O4
Molecular Weight474.00 g/mol
Exact Mass473.21
IUPAC Name(5S)-5-[(2-chlorophenyl)methyl]-5-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
SMILESCOCCN1C(=O)N[C@@](Cc2ccccc2Cl)(C2CCN(C(=O)[C@H]3CC=CCC3)CC2)C1=O
InChIInChI=1S/C25H32ClN3O4/c1-33-16-15-29-23(31)25(27-24(29)32,17-19-9-5-6-10-21(19)26)20-11-13-28(14-12-20)22(30)18-7-3-2-4-8-18/h2-3,5-6,9-10,18,20H,4,7-8,11-17H2,1H3,(H,27,32)/t18-,25-/m0/s1
InChIKeyWCONDSRARWENFW-BVZFJXPGSA-N
XLogP3.41
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.00
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5S)-5-[(2-chlorophenyl)methyl]-5-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-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

5-[(2-chlorophenyl)methyl]-5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
CID 45184206
5-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(2-phenylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45206652
5-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(4-methylpent-2-enoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 74803749
(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-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[3-(dimethylamino)propyl]-5-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 42342271
5-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
CID 45209860
(5S)-5-[(4-fluorophenyl)methyl]-5-[1-[(E)-3-(2-fluorophenyl)prop-2-enoyl]piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
CID 26329509
5-[(2-chlorophenyl)methyl]-3-(cyclopropylmethyl)-5-[1-(3-methylbut-2-enyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45212407
5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45178399
5-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
CID 45172064
5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45183370
(5R)-5-(1-benzylpiperidin-4-yl)-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 26275267

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2-chlorophenyl)methyl]-5-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione?
The IUPAC name of (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) is (5S)-5-[(2-chlorophenyl)methyl]-5-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(2-chlorophenyl)methyl]-5-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(2-chlorophenyl)methyl]-5-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione is COCCN1C(=O)N[C@@](Cc2ccccc2Cl)(C2CCN(C(=O)[C@H]3CC=CCC3)CC2)C1=O.
What is the InChIKey of (5S)-5-[(2-chlorophenyl)methyl]-5-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione?
The InChIKey is WCONDSRARWENFW-BVZFJXPGSA-N. The full InChI is InChI=1S/C25H32ClN3O4/c1-33-16-15-29-23(31)25(27-24(29)32,17-19-9-5-6-10-21(19)26)20-11-13-28(14-12-20)22(30)18-7-3-2-4-8-18/h2-3,5-6,9-10,18,20H,4,7-8,11-17H2,1H3,(H,27,32)/t18-,25-/m0/s1.
What are the key properties of (5S)-5-[(2-chlorophenyl)methyl]-5-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione?
(5S)-5-[(2-chlorophenyl)methyl]-5-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione has a molecular weight of 474.00 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2-chlorophenyl)methyl]-5-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 42468381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).