1-[1-[[6-[(2E)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]imidazolidin-2-one

C18H25FN4O4S — CID 163539727

IUPAC1-[1-[[6-[(2E)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]imidazolidin-2-one
SMILESCC/C(=C\F)COc1ccc(S(=O)(=O)N2CCC(N3CCNC3=O)CC2)cn1
InChIInChI=1S/C18H25FN4O4S/c1-2-14(11-19)13-27-17-4-3-16(12-21-17)28(25,26)22-8-5-15(6-9-22)23-10-7-20-18(23)24/h3-4,11-12,15H,2,5-10,13H2,1H3,(H,20,24)/b14-11+
InChIKeyFBBVPBQLGLHLRT-SDNWHVSQSA-N
MW412.49 g/mol
LogP1.90
Rot. Bonds7

About 1-[1-[[6-[(2E)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]imidazolidin-2-one

1-[1-[[6-[(2E)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]imidazolidin-2-one (PubChem CID 163539727) has the molecular formula C18H25FN4O4S and a molecular weight of 412.49 g/mol. Its IUPAC name is 1-[1-[[6-[(2E)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[[6-[(2E)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]imidazolidin-2-one
PubChem CID163539727
Molecular FormulaC18H25FN4O4S
Molecular Weight412.49 g/mol
Exact Mass412.16
IUPAC Name1-[1-[[6-[(2E)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]imidazolidin-2-one
SMILESCC/C(=C\F)COc1ccc(S(=O)(=O)N2CCC(N3CCNC3=O)CC2)cn1
InChIInChI=1S/C18H25FN4O4S/c1-2-14(11-19)13-27-17-4-3-16(12-21-17)28(25,26)22-8-5-15(6-9-22)23-10-7-20-18(23)24/h3-4,11-12,15H,2,5-10,13H2,1H3,(H,20,24)/b14-11+
InChIKeyFBBVPBQLGLHLRT-SDNWHVSQSA-N
XLogP1.90
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[6-[(2E)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[[6-[(2E)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]imidazolidin-2-one (CID 163539727) is 1-[1-[[6-[(2E)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[[6-[(2E)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[[6-[(2E)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]imidazolidin-2-one is CC/C(=C\F)COc1ccc(S(=O)(=O)N2CCC(N3CCNC3=O)CC2)cn1.
What is the InChIKey of 1-[1-[[6-[(2E)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]imidazolidin-2-one?
The InChIKey is FBBVPBQLGLHLRT-SDNWHVSQSA-N. The full InChI is InChI=1S/C18H25FN4O4S/c1-2-14(11-19)13-27-17-4-3-16(12-21-17)28(25,26)22-8-5-15(6-9-22)23-10-7-20-18(23)24/h3-4,11-12,15H,2,5-10,13H2,1H3,(H,20,24)/b14-11+.
What are the key properties of 1-[1-[[6-[(2E)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]imidazolidin-2-one?
1-[1-[[6-[(2E)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]imidazolidin-2-one has a molecular weight of 412.49 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[6-[(2E)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 163539727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).