3-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]imidazolidine-2,4-dione

C19H25N3O3 — CID 86978734

IUPAC3-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]imidazolidine-2,4-dione
SMILESO=C(CCCN1C(=O)CNC1=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H25N3O3/c23-17(7-4-10-22-18(24)14-20-19(22)25)21-11-8-16(9-12-21)13-15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2,(H,20,25)
InChIKeyDVSHALWSHDWJCH-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.80
Rot. Bonds6

About 3-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]imidazolidine-2,4-dione

3-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]imidazolidine-2,4-dione (PubChem CID 86978734) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]imidazolidine-2,4-dione
PubChem CID86978734
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name3-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]imidazolidine-2,4-dione
SMILESO=C(CCCN1C(=O)CNC1=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H25N3O3/c23-17(7-4-10-22-18(24)14-20-19(22)25)21-11-8-16(9-12-21)13-15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2,(H,20,25)
InChIKeyDVSHALWSHDWJCH-UHFFFAOYSA-N
XLogP1.80
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-benzylpiperidin-1-yl)-5-oxopentanoic acid
CID 4305990
(5E)-3-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]-5-[(2-chlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6205004
(4S)-4-amino-1-(4-benzylpiperidin-1-yl)-5-phenylpentan-1-one
CID 58723486
1-(4-benzylpiperidin-1-yl)-3-(2,3-dihydroindol-1-yl)propan-1-one
CID 109032481
1-[3-(4-benzylpiperidin-1-yl)propanoyl]-3,4-dihydroquinazolin-2-one
CID 22377654
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
1-(4-benzylpiperidin-1-yl)-4-(4-methylphenoxy)butan-1-one
CID 124749146
1-(3,4,4a,5,6,7-hexahydro-1H-isoquinolin-2-yl)-5-(4-benzylpiperidin-1-yl)pentane-1,5-dione
CID 66794799
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886
1-(4-benzylpiperidin-1-yl)-3-[butyl(methyl)amino]propan-1-one
CID 109032445
4-amino-1-(4-benzylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 120558672
(2S)-2-amino-1-[4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]piperidin-1-yl]propan-1-one
CID 72839247

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]imidazolidine-2,4-dione (CID 86978734) is 3-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]imidazolidine-2,4-dione is O=C(CCCN1C(=O)CNC1=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 3-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]imidazolidine-2,4-dione?
The InChIKey is DVSHALWSHDWJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c23-17(7-4-10-22-18(24)14-20-19(22)25)21-11-8-16(9-12-21)13-15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2,(H,20,25).
What are the key properties of 3-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]imidazolidine-2,4-dione?
3-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]imidazolidine-2,4-dione has a molecular weight of 343.43 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]imidazolidine-2,4-dione is sourced from PubChem (CID 86978734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).