4-[4-[6-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]phenyl]sulfonylmorpholine

C23H32N4O3S — CID 23154459

IUPAC4-[4-[6-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]phenyl]sulfonylmorpholine
SMILESCC(C)CN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cn2)CC1
InChIInChI=1S/C23H32N4O3S/c1-19(2)18-25-9-11-26(12-10-25)23-8-5-21(17-24-23)20-3-6-22(7-4-20)31(28,29)27-13-15-30-16-14-27/h3-8,17,19H,9-16,18H2,1-2H3
InChIKeyMBGJWTXXTYRLJU-UHFFFAOYSA-N
MW444.60 g/mol
LogP2.55
Rot. Bonds6

About 4-[4-[6-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]phenyl]sulfonylmorpholine

4-[4-[6-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]phenyl]sulfonylmorpholine (PubChem CID 23154459) has the molecular formula C23H32N4O3S and a molecular weight of 444.60 g/mol. Its IUPAC name is 4-[4-[6-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-[6-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]phenyl]sulfonylmorpholine
PubChem CID23154459
Molecular FormulaC23H32N4O3S
Molecular Weight444.60 g/mol
Exact Mass444.22
IUPAC Name4-[4-[6-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]phenyl]sulfonylmorpholine
SMILESCC(C)CN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cn2)CC1
InChIInChI=1S/C23H32N4O3S/c1-19(2)18-25-9-11-26(12-10-25)23-8-5-21(17-24-23)20-3-6-22(7-4-20)31(28,29)27-13-15-30-16-14-27/h3-8,17,19H,9-16,18H2,1-2H3
InChIKeyMBGJWTXXTYRLJU-UHFFFAOYSA-N
XLogP2.55
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-[6-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]phenyl]sulfonylmorpholine with MolForge

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Related Compounds

(1S)-1-(4-fluorophenyl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanol
CID 32605808
4-[[6-(4-propyl-1,4-diazepan-1-yl)-3-pyridinyl]sulfonyl]morpholine
CID 133322499
(2R)-1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propan-2-ol
CID 133486332
1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine
CID 113072895
2-methylsulfanyl-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 24633618
4-[[6-[4-[2-(3,5-dimethylphenoxy)ethyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 24595656
4-[[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 9311875
2-(4-methylphenyl)-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 24598564
N-methyl-N-[(4-methylphenyl)methyl]-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide
CID 43039440
2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]phenol
CID 9282198
4-[[6-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 24595663
(2S,6R)-2,6-dimethyl-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)morpholine
CID 7042964

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-[6-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]phenyl]sulfonylmorpholine (CID 23154459) is 4-[4-[6-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-[6-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-[6-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]phenyl]sulfonylmorpholine is CC(C)CN1CCN(c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cn2)CC1.
What is the InChIKey of 4-[4-[6-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]phenyl]sulfonylmorpholine?
The InChIKey is MBGJWTXXTYRLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3S/c1-19(2)18-25-9-11-26(12-10-25)23-8-5-21(17-24-23)20-3-6-22(7-4-20)31(28,29)27-13-15-30-16-14-27/h3-8,17,19H,9-16,18H2,1-2H3.
What are the key properties of 4-[4-[6-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]phenyl]sulfonylmorpholine?
4-[4-[6-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]phenyl]sulfonylmorpholine has a molecular weight of 444.60 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]phenyl]sulfonylmorpholine is sourced from PubChem (CID 23154459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).