3-[4-[4,5-dimethyl-2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]phenyl]propanoic acid;hydrochloride

C21H32ClN3O3 — CID 74004623

IUPAC3-[4-[4,5-dimethyl-2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]phenyl]propanoic acid;hydrochloride
SMILESCC1C(C)N(c2ccc(CCC(=O)O)cc2)C(=O)N1CCC1CCNCC1.Cl
InChIInChI=1S/C21H31N3O3.ClH/c1-15-16(2)24(19-6-3-17(4-7-19)5-8-20(25)26)21(27)23(15)14-11-18-9-12-22-13-10-18;/h3-4,6-7,15-16,18,22H,5,8-14H2,1-2H3,(H,25,26);1H
InChIKeyARHPJSNEMBLLDP-UHFFFAOYSA-N
MW409.96 g/mol
LogP3.53
Rot. Bonds7

About 3-[4-[4,5-dimethyl-2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]phenyl]propanoic acid;hydrochloride

3-[4-[4,5-dimethyl-2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]phenyl]propanoic acid;hydrochloride (PubChem CID 74004623) has the molecular formula C21H32ClN3O3 and a molecular weight of 409.96 g/mol. Its IUPAC name is 3-[4-[4,5-dimethyl-2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]phenyl]propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-[4-[4,5-dimethyl-2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]phenyl]propanoic acid;hydrochloride
PubChem CID74004623
Molecular FormulaC21H32ClN3O3
Molecular Weight409.96 g/mol
Exact Mass409.21
IUPAC Name3-[4-[4,5-dimethyl-2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]phenyl]propanoic acid;hydrochloride
SMILESCC1C(C)N(c2ccc(CCC(=O)O)cc2)C(=O)N1CCC1CCNCC1.Cl
InChIInChI=1S/C21H31N3O3.ClH/c1-15-16(2)24(19-6-3-17(4-7-19)5-8-20(25)26)21(27)23(15)14-11-18-9-12-22-13-10-18;/h3-4,6-7,15-16,18,22H,5,8-14H2,1-2H3,(H,25,26);1H
InChIKeyARHPJSNEMBLLDP-UHFFFAOYSA-N
XLogP3.53
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.96
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[4-[4,5-dimethyl-2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]phenyl]propanoic acid;hydrochloride with MolForge

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Related Compounds

3-[4-[5-methyl-3-oxo-4-(2-piperidin-4-ylethyl)-1,2,4-triazolidin-1-yl]phenyl]propanoic acid;hydrochloride
CID 22075307
3-[4-[5-methyl-3-oxo-4-(2-piperidin-4-ylethyl)-1,2,4-triazolidin-1-yl]phenyl]propanoic acid
CID 22075308
3-[4-[2,4-dioxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]phenyl]propanoic acid;hydrochloride
CID 70078685
3-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenyl]propanoic acid;dihydrochloride
CID 19602805
3-[3-methyl-4-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-4-yl]phenyl]propanoic acid
CID 22075224
3-[4-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-4-yl]-3-(trifluoromethyl)phenyl]propanoic acid;hydrochloride
CID 22075078
ethyl 3-[4-[2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]phenyl]propanoate
CID 21480742
3-[4-[3-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-5-oxo-1,2,4-triazol-4-yl]phenyl]propanoic acid
CID 70073975
methyl 3-[4-[5-oxo-1-(2-piperidin-4-ylethyl)-1,2,4-triazol-4-yl]phenyl]propanoate
CID 70075400
(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(2-piperidin-4-ylethyl)-1,3-diazepan-2-one
CID 5327284
3-[4-(4-carbamoyl-2-oxo-3-piperidin-4-ylimidazolidin-1-yl)phenyl]propanoic acid
CID 67579037
3-(4-piperidin-4-yloxyphenyl)propanoic acid;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4,5-dimethyl-2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]phenyl]propanoic acid;hydrochloride?
The IUPAC name of 3-[4-[4,5-dimethyl-2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]phenyl]propanoic acid;hydrochloride (CID 74004623) is 3-[4-[4,5-dimethyl-2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]phenyl]propanoic acid;hydrochloride.
What is the SMILES notation for 3-[4-[4,5-dimethyl-2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]phenyl]propanoic acid;hydrochloride?
The canonical SMILES for 3-[4-[4,5-dimethyl-2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]phenyl]propanoic acid;hydrochloride is CC1C(C)N(c2ccc(CCC(=O)O)cc2)C(=O)N1CCC1CCNCC1.Cl.
What is the InChIKey of 3-[4-[4,5-dimethyl-2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]phenyl]propanoic acid;hydrochloride?
The InChIKey is ARHPJSNEMBLLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3.ClH/c1-15-16(2)24(19-6-3-17(4-7-19)5-8-20(25)26)21(27)23(15)14-11-18-9-12-22-13-10-18;/h3-4,6-7,15-16,18,22H,5,8-14H2,1-2H3,(H,25,26);1H.
What are the key properties of 3-[4-[4,5-dimethyl-2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]phenyl]propanoic acid;hydrochloride?
3-[4-[4,5-dimethyl-2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]phenyl]propanoic acid;hydrochloride has a molecular weight of 409.96 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4,5-dimethyl-2-oxo-3-(2-piperidin-4-ylethyl)imidazolidin-1-yl]phenyl]propanoic acid;hydrochloride is sourced from PubChem (CID 74004623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).