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

C19H27FN4O4S — CID 163539728

IUPAC1-[1-[[6-[(2E)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]-3-methylimidazolidin-2-one
SMILESCC/C(=C\F)COc1ccc(S(=O)(=O)N2CCC(N3CCN(C)C3=O)CC2)cn1
InChIInChI=1S/C19H27FN4O4S/c1-3-15(12-20)14-28-18-5-4-17(13-21-18)29(26,27)23-8-6-16(7-9-23)24-11-10-22(2)19(24)25/h4-5,12-13,16H,3,6-11,14H2,1-2H3/b15-12+
InChIKeyYUCXJCMPNRVWNM-NTCAYCPXSA-N
MW426.51 g/mol
LogP2.24
Rot. Bonds7

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

1-[1-[[6-[(2E)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]-3-methylimidazolidin-2-one (PubChem CID 163539728) has the molecular formula C19H27FN4O4S and a molecular weight of 426.51 g/mol. Its IUPAC name is 1-[1-[[6-[(2E)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[[6-[(2E)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]-3-methylimidazolidin-2-one
PubChem CID163539728
Molecular FormulaC19H27FN4O4S
Molecular Weight426.51 g/mol
Exact Mass426.17
IUPAC Name1-[1-[[6-[(2E)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]-3-methylimidazolidin-2-one
SMILESCC/C(=C\F)COc1ccc(S(=O)(=O)N2CCC(N3CCN(C)C3=O)CC2)cn1
InChIInChI=1S/C19H27FN4O4S/c1-3-15(12-20)14-28-18-5-4-17(13-21-18)29(26,27)23-8-6-16(7-9-23)24-11-10-22(2)19(24)25/h4-5,12-13,16H,3,6-11,14H2,1-2H3/b15-12+
InChIKeyYUCXJCMPNRVWNM-NTCAYCPXSA-N
XLogP2.24
TPSA83.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-[[6-[(2E)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]-3-methylimidazolidin-2-one with MolForge

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Related Compounds

US11414402, Example 25
CID 137352875
US12178809, Example 27
CID 147292328
US12178809, Example 44
CID 153082382
US12178809, Example 16
CID 153573737
US12178809, Example 02
CID 153573753
US12178809, Example 29
CID 153573773
US12178809, Example 20
CID 153573789
US12178809, Example 12
CID 153573814
US12178809, Example 07
CID 153573818
US12178809, Example 34
CID 153573836
US12178809, Example 21
CID 153573839
US12178809, Example 46
CID 153573844

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[6-[(2E)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[1-[[6-[(2E)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]-3-methylimidazolidin-2-one (CID 163539728) is 1-[1-[[6-[(2E)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[1-[[6-[(2E)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[1-[[6-[(2E)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]-3-methylimidazolidin-2-one is CC/C(=C\F)COc1ccc(S(=O)(=O)N2CCC(N3CCN(C)C3=O)CC2)cn1.
What is the InChIKey of 1-[1-[[6-[(2E)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]-3-methylimidazolidin-2-one?
The InChIKey is YUCXJCMPNRVWNM-NTCAYCPXSA-N. The full InChI is InChI=1S/C19H27FN4O4S/c1-3-15(12-20)14-28-18-5-4-17(13-21-18)29(26,27)23-8-6-16(7-9-23)24-11-10-22(2)19(24)25/h4-5,12-13,16H,3,6-11,14H2,1-2H3/b15-12+.
What are the key properties of 1-[1-[[6-[(2E)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]-3-methylimidazolidin-2-one?
1-[1-[[6-[(2E)-2-(fluoromethylidene)butoxy]-3-pyridinyl]sulfonyl]piperidin-4-yl]-3-methylimidazolidin-2-one has a molecular weight of 426.51 g/mol, XLogP of 2.24, 7 rotatable bonds, 0 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]-3-methylimidazolidin-2-one is sourced from PubChem (CID 163539728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).