(5R)-5-(3-methylbutyl)-5-[1-[(2-methylphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione

C21H31N3O2 — CID 42343993

IUPAC(5R)-5-(3-methylbutyl)-5-[1-[(2-methylphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESCc1ccccc1CN1CCC([C@@]2(CCC(C)C)NC(=O)NC2=O)CC1
InChIInChI=1S/C21H31N3O2/c1-15(2)8-11-21(19(25)22-20(26)23-21)18-9-12-24(13-10-18)14-17-7-5-4-6-16(17)3/h4-7,15,18H,8-14H2,1-3H3,(H2,22,23,25,26)/t21-/m1/s1
InChIKeyBXKOFUQYPNUWAP-OAQYLSRUSA-N
MW357.50 g/mol
LogP3.22
Rot. Bonds6

About (5R)-5-(3-methylbutyl)-5-[1-[(2-methylphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione

(5R)-5-(3-methylbutyl)-5-[1-[(2-methylphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 42343993) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is (5R)-5-(3-methylbutyl)-5-[1-[(2-methylphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(3-methylbutyl)-5-[1-[(2-methylphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID42343993
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name(5R)-5-(3-methylbutyl)-5-[1-[(2-methylphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESCc1ccccc1CN1CCC([C@@]2(CCC(C)C)NC(=O)NC2=O)CC1
InChIInChI=1S/C21H31N3O2/c1-15(2)8-11-21(19(25)22-20(26)23-21)18-9-12-24(13-10-18)14-17-7-5-4-6-16(17)3/h4-7,15,18H,8-14H2,1-3H3,(H2,22,23,25,26)/t21-/m1/s1
InChIKeyBXKOFUQYPNUWAP-OAQYLSRUSA-N
XLogP3.22
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.22
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-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 45183704
(5S)-5-[1-[2-(3-chlorophenyl)acetyl]piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 42454799
5-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 45195590
5-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-5-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 45202560
(5R)-5-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 42325367
5-(3-methylbutyl)-5-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45171162
5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 45188706
(5S)-5-(3-phenylpropyl)-5-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42168111
(5R)-5-[1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 42210327
5-[(2-fluorophenyl)methyl]-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45204894
5-(3-methylbutyl)-5-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione
CID 126463038
(5S)-5-[(2-fluorophenyl)methyl]-5-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42192312

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(3-methylbutyl)-5-[1-[(2-methylphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(3-methylbutyl)-5-[1-[(2-methylphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione (CID 42343993) is (5R)-5-(3-methylbutyl)-5-[1-[(2-methylphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(3-methylbutyl)-5-[1-[(2-methylphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(3-methylbutyl)-5-[1-[(2-methylphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione is Cc1ccccc1CN1CCC([C@@]2(CCC(C)C)NC(=O)NC2=O)CC1.
What is the InChIKey of (5R)-5-(3-methylbutyl)-5-[1-[(2-methylphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is BXKOFUQYPNUWAP-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-15(2)8-11-21(19(25)22-20(26)23-21)18-9-12-24(13-10-18)14-17-7-5-4-6-16(17)3/h4-7,15,18H,8-14H2,1-3H3,(H2,22,23,25,26)/t21-/m1/s1.
What are the key properties of (5R)-5-(3-methylbutyl)-5-[1-[(2-methylphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione?
(5R)-5-(3-methylbutyl)-5-[1-[(2-methylphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 357.50 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(3-methylbutyl)-5-[1-[(2-methylphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 42343993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).