N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]-1-(2-morpholin-4-ylethyl)piperidin-4-amine

C20H31FN4O3S — CID 75447109

IUPACN-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]-1-(2-morpholin-4-ylethyl)piperidin-4-amine
SMILESO=S1(=O)CCCN1c1cc(NC2CCN(CCN3CCOCC3)CC2)ccc1F
InChIInChI=1S/C20H31FN4O3S/c21-19-3-2-18(16-20(19)25-6-1-15-29(25,26)27)22-17-4-7-23(8-5-17)9-10-24-11-13-28-14-12-24/h2-3,16-17,22H,1,4-15H2
InChIKeyDGFBKDYZSGZYME-UHFFFAOYSA-N
MW426.56 g/mol
LogP1.57
Rot. Bonds6

About N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]-1-(2-morpholin-4-ylethyl)piperidin-4-amine

N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]-1-(2-morpholin-4-ylethyl)piperidin-4-amine (PubChem CID 75447109) has the molecular formula C20H31FN4O3S and a molecular weight of 426.56 g/mol. Its IUPAC name is N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]-1-(2-morpholin-4-ylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]-1-(2-morpholin-4-ylethyl)piperidin-4-amine
PubChem CID75447109
Molecular FormulaC20H31FN4O3S
Molecular Weight426.56 g/mol
Exact Mass426.21
IUPAC NameN-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]-1-(2-morpholin-4-ylethyl)piperidin-4-amine
SMILESO=S1(=O)CCCN1c1cc(NC2CCN(CCN3CCOCC3)CC2)ccc1F
InChIInChI=1S/C20H31FN4O3S/c21-19-3-2-18(16-20(19)25-6-1-15-29(25,26)27)22-17-4-7-23(8-5-17)9-10-24-11-13-28-14-12-24/h2-3,16-17,22H,1,4-15H2
InChIKeyDGFBKDYZSGZYME-UHFFFAOYSA-N
XLogP1.57
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

US11091488, Example 25
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4-fluoro-N-{3-[4-(tetrahydro-3-furanylamino)-1-piperidinyl]phenyl}benzenesulfonamide
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N-[4-[(3-fluoro-5-morpholin-4-ylanilino)methyl]cyclohexyl]ethanesulfonamide
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N-[1-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-5-morpholin-4-ylpent-3-yn-2-yl]hydroxylamine
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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]-1-(2-morpholin-4-ylethyl)piperidin-4-amine?
The IUPAC name of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]-1-(2-morpholin-4-ylethyl)piperidin-4-amine (CID 75447109) is N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]-1-(2-morpholin-4-ylethyl)piperidin-4-amine.
What is the SMILES notation for N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]-1-(2-morpholin-4-ylethyl)piperidin-4-amine?
The canonical SMILES for N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]-1-(2-morpholin-4-ylethyl)piperidin-4-amine is O=S1(=O)CCCN1c1cc(NC2CCN(CCN3CCOCC3)CC2)ccc1F.
What is the InChIKey of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]-1-(2-morpholin-4-ylethyl)piperidin-4-amine?
The InChIKey is DGFBKDYZSGZYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31FN4O3S/c21-19-3-2-18(16-20(19)25-6-1-15-29(25,26)27)22-17-4-7-23(8-5-17)9-10-24-11-13-28-14-12-24/h2-3,16-17,22H,1,4-15H2.
What are the key properties of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]-1-(2-morpholin-4-ylethyl)piperidin-4-amine?
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]-1-(2-morpholin-4-ylethyl)piperidin-4-amine has a molecular weight of 426.56 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluorophenyl]-1-(2-morpholin-4-ylethyl)piperidin-4-amine is sourced from PubChem (CID 75447109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).