5-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione

C18H26N4O2 — CID 45200395

IUPAC5-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
SMILESCN(C)c1ccc(CN2CCC(C3(C)NC(=O)NC3=O)CC2)cc1
InChIInChI=1S/C18H26N4O2/c1-18(16(23)19-17(24)20-18)14-8-10-22(11-9-14)12-13-4-6-15(7-5-13)21(2)3/h4-7,14H,8-12H2,1-3H3,(H2,19,20,23,24)
InChIKeyICJWCARJCDJPGZ-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.56
Rot. Bonds4

About 5-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione

5-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione (PubChem CID 45200395) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 5-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
PubChem CID45200395
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name5-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
SMILESCN(C)c1ccc(CN2CCC(C3(C)NC(=O)NC3=O)CC2)cc1
InChIInChI=1S/C18H26N4O2/c1-18(16(23)19-17(24)20-18)14-8-10-22(11-9-14)12-13-4-6-15(7-5-13)21(2)3/h4-7,14H,8-12H2,1-3H3,(H2,19,20,23,24)
InChIKeyICJWCARJCDJPGZ-UHFFFAOYSA-N
XLogP1.56
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

5-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 45187506
(5R)-5-[1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 42166777
5-methyl-5-[1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 56713229
(5R)-5-[1-(2-tert-butylsulfanylethyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 124843308
2-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]oxyacetic acid
CID 65065662
(3R)-1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-3-amine
CID 94339766
(3R)-1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-3-ol
CID 103881907
5-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 45195590
(5S)-5-cyclohexyl-5-methylimidazolidine-2,4-dione
CID 6927018
4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-N,N-dimethylaniline
CID 54793610
5-methyl-5-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 120982053
(5R)-5-methyl-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 26282962

Frequently Asked Questions

What is the IUPAC name of 5-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione (CID 45200395) is 5-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione is CN(C)c1ccc(CN2CCC(C3(C)NC(=O)NC3=O)CC2)cc1.
What is the InChIKey of 5-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The InChIKey is ICJWCARJCDJPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-18(16(23)19-17(24)20-18)14-8-10-22(11-9-14)12-13-4-6-15(7-5-13)21(2)3/h4-7,14H,8-12H2,1-3H3,(H2,19,20,23,24).
What are the key properties of 5-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
5-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione has a molecular weight of 330.43 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 45200395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).