1-[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]imidazolidin-2-one

C13H16BrN3O2S — CID 61062075

IUPAC1-[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]imidazolidin-2-one
SMILESO=C(c1sccc1Br)N1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C13H16BrN3O2S/c14-10-3-8-20-11(10)12(18)16-5-1-9(2-6-16)17-7-4-15-13(17)19/h3,8-9H,1-2,4-7H2,(H,15,19)
InChIKeyIUOCXRLSVMHFQH-UHFFFAOYSA-N
MW358.26 g/mol
LogP2.14
Rot. Bonds2

About 1-[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]imidazolidin-2-one

1-[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]imidazolidin-2-one (PubChem CID 61062075) has the molecular formula C13H16BrN3O2S and a molecular weight of 358.26 g/mol. Its IUPAC name is 1-[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]imidazolidin-2-one
PubChem CID61062075
Molecular FormulaC13H16BrN3O2S
Molecular Weight358.26 g/mol
Exact Mass357.01
IUPAC Name1-[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]imidazolidin-2-one
SMILESO=C(c1sccc1Br)N1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C13H16BrN3O2S/c14-10-3-8-20-11(10)12(18)16-5-1-9(2-6-16)17-7-4-15-13(17)19/h3,8-9H,1-2,4-7H2,(H,15,19)
InChIKeyIUOCXRLSVMHFQH-UHFFFAOYSA-N
XLogP2.14
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]imidazolidin-2-one
CID 136578666
3-[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazinan-2-one
CID 3743346
1-[1-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperidin-4-yl]imidazolidin-2-one
CID 56816838
3-[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]-4-methyl-1,3-oxazolidin-2-one
CID 5008045
1-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]imidazolidin-2-one
CID 103754729
(3-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562122
(3-bromopyrrolidin-1-yl)-(3-bromothiophen-2-yl)methanone
CID 80677244
(3-bromothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 62613244
1-[1-(4-methoxybenzoyl)piperidin-4-yl]imidazolidin-2-one
CID 134790027
1-(3-bromothiophene-2-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
CID 77038674
(3-bromothiophen-2-yl)-[4-(1-chloroethyl)piperidin-1-yl]methanone
CID 106839081
1-(3-bromothiophene-2-carbonyl)-N-ethylpiperidine-4-carboxamide
CID 60777066

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]imidazolidin-2-one (CID 61062075) is 1-[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]imidazolidin-2-one is O=C(c1sccc1Br)N1CCC(N2CCNC2=O)CC1.
What is the InChIKey of 1-[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]imidazolidin-2-one?
The InChIKey is IUOCXRLSVMHFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2S/c14-10-3-8-20-11(10)12(18)16-5-1-9(2-6-16)17-7-4-15-13(17)19/h3,8-9H,1-2,4-7H2,(H,15,19).
What are the key properties of 1-[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]imidazolidin-2-one?
1-[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]imidazolidin-2-one has a molecular weight of 358.26 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-bromothiophene-2-carbonyl)piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 61062075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).