1-[1-[3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione

C18H18F3N7O3 — CID 126850995

IUPAC1-[1-[3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
SMILESO=C(c1cccc(-n2cnnn2)c1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1
InChIInChI=1S/C18H18F3N7O3/c19-18(20,21)10-27-15(29)9-26(17(27)31)13-4-6-25(7-5-13)16(30)12-2-1-3-14(8-12)28-11-22-23-24-28/h1-3,8,11,13H,4-7,9-10H2
InChIKeyRZKDSRBFRVNILZ-UHFFFAOYSA-N
MW437.38 g/mol
LogP1.09
Rot. Bonds4

About 1-[1-[3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione

1-[1-[3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione (PubChem CID 126850995) has the molecular formula C18H18F3N7O3 and a molecular weight of 437.38 g/mol. Its IUPAC name is 1-[1-[3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[1-[3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
PubChem CID126850995
Molecular FormulaC18H18F3N7O3
Molecular Weight437.38 g/mol
Exact Mass437.14
IUPAC Name1-[1-[3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
SMILESO=C(c1cccc(-n2cnnn2)c1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1
InChIInChI=1S/C18H18F3N7O3/c19-18(20,21)10-27-15(29)9-26(17(27)31)13-4-6-25(7-5-13)16(30)12-2-1-3-14(8-12)28-11-22-23-24-28/h1-3,8,11,13H,4-7,9-10H2
InChIKeyRZKDSRBFRVNILZ-UHFFFAOYSA-N
XLogP1.09
TPSA104.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.38
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(4-cyclopentylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 128927605
1-[1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 126850998
1-(1-phenacylpiperidin-4-yl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 126854984
1-[1-(2-indol-1-ylacetyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 126850997
[3-(tetrazol-1-yl)phenyl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
CID 71798687
(7-phenyl-1,4-thiazepan-4-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 90629300
2-methyl-4-phenyl-5-[1-[3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]-1,2,4-triazol-3-one
CID 90540322
tert-butyl N-[1-[3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]carbamate
CID 55736386
(3-hydroxypiperidin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 110881986
[7-(2-fluorophenyl)-1,1-dioxo-1,4-thiazepan-4-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 121192226
[3-(tetrazol-1-yl)phenyl]-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 129417243
1-[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 171136822

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The IUPAC name of 1-[1-[3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione (CID 126850995) is 1-[1-[3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-[1-[3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-[1-[3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione is O=C(c1cccc(-n2cnnn2)c1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1.
What is the InChIKey of 1-[1-[3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The InChIKey is RZKDSRBFRVNILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N7O3/c19-18(20,21)10-27-15(29)9-26(17(27)31)13-4-6-25(7-5-13)16(30)12-2-1-3-14(8-12)28-11-22-23-24-28/h1-3,8,11,13H,4-7,9-10H2.
What are the key properties of 1-[1-[3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
1-[1-[3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione has a molecular weight of 437.38 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 126850995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).