1-[(4-fluorophenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazolidin-2-one

C25H30FN3O3S — CID 53083145

IUPAC1-[(4-fluorophenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazolidin-2-one
SMILESO=C1N(Cc2ccc(F)cc2)CCN1C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C25H30FN3O3S/c26-22-8-5-19(6-9-22)18-27-15-16-29(25(27)30)23-11-13-28(14-12-23)33(31,32)24-10-7-20-3-1-2-4-21(20)17-24/h5-10,17,23H,1-4,11-16,18H2
InChIKeyLKDIRTOWUXBYIC-UHFFFAOYSA-N
MW471.60 g/mol
LogP3.80
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazolidin-2-one

1-[(4-fluorophenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazolidin-2-one (PubChem CID 53083145) has the molecular formula C25H30FN3O3S and a molecular weight of 471.60 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazolidin-2-one
PubChem CID53083145
Molecular FormulaC25H30FN3O3S
Molecular Weight471.60 g/mol
Exact Mass471.20
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazolidin-2-one
SMILESO=C1N(Cc2ccc(F)cc2)CCN1C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C25H30FN3O3S/c26-22-8-5-19(6-9-22)18-27-15-16-29(25(27)30)23-11-13-28(14-12-23)33(31,32)24-10-7-20-3-1-2-4-21(20)17-24/h5-10,17,23H,1-4,11-16,18H2
InChIKeyLKDIRTOWUXBYIC-UHFFFAOYSA-N
XLogP3.80
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(benzenesulfonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one
CID 53083134
1-[(4-fluorophenyl)methyl]-3-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]imidazolidin-2-one
CID 53083148
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
CID 55960055
1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-[(4-methylphenyl)methyl]imidazolidin-2-one
CID 53083165
1-[1-(2,1,3-benzothiadiazol-5-ylsulfonyl)piperidin-4-yl]-3-benzylimidazolidin-2-one
CID 176770004
1-benzyl-3-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]imidazolidin-2-one
CID 53083205
[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine
CID 28706848
1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-amine
CID 28804108
N-(4-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 30844732
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidin-1-ylpiperidine
CID 71890474
1-[(4-fluorophenyl)methyl]-4-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]piperazine-2,3-dione
CID 53023714
4-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine
CID 80668443

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazolidin-2-one (CID 53083145) is 1-[(4-fluorophenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazolidin-2-one is O=C1N(Cc2ccc(F)cc2)CCN1C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazolidin-2-one?
The InChIKey is LKDIRTOWUXBYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O3S/c26-22-8-5-19(6-9-22)18-27-15-16-29(25(27)30)23-11-13-28(14-12-23)33(31,32)24-10-7-20-3-1-2-4-21(20)17-24/h5-10,17,23H,1-4,11-16,18H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazolidin-2-one?
1-[(4-fluorophenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazolidin-2-one has a molecular weight of 471.60 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 53083145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).