2-methyl-1-[4-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoyl)piperazin-1-yl]propan-1-one

C24H36N4O5S — CID 55336704

IUPAC2-methyl-1-[4-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoyl)piperazin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)CC1
InChIInChI=1S/C24H36N4O5S/c1-19(2)23(29)26-10-12-27(13-11-26)24(30)21-18-20(34(31,32)28-14-16-33-17-15-28)6-7-22(21)25-8-4-3-5-9-25/h6-7,18-19H,3-5,8-17H2,1-2H3
InChIKeyJZHGVTASXILSOJ-UHFFFAOYSA-N
MW492.64 g/mol
LogP1.64
Rot. Bonds5

About 2-methyl-1-[4-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoyl)piperazin-1-yl]propan-1-one

2-methyl-1-[4-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoyl)piperazin-1-yl]propan-1-one (PubChem CID 55336704) has the molecular formula C24H36N4O5S and a molecular weight of 492.64 g/mol. Its IUPAC name is 2-methyl-1-[4-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoyl)piperazin-1-yl]propan-1-one
PubChem CID55336704
Molecular FormulaC24H36N4O5S
Molecular Weight492.64 g/mol
Exact Mass492.24
IUPAC Name2-methyl-1-[4-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoyl)piperazin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)CC1
InChIInChI=1S/C24H36N4O5S/c1-19(2)23(29)26-10-12-27(13-11-26)24(30)21-18-20(34(31,32)28-14-16-33-17-15-28)6-7-22(21)25-8-4-3-5-9-25/h6-7,18-19H,3-5,8-17H2,1-2H3
InChIKeyJZHGVTASXILSOJ-UHFFFAOYSA-N
XLogP1.64
TPSA90.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.64
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-1-[4-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoyl)piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

azepan-1-yl-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)methanone
CID 112759512
(4-ethylpiperazin-1-yl)-(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanone
CID 134016872
2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 2433198
N-methyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 17478604
cyanomethyl 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate
CID 29201099
N-cyclohexyl-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
CID 4825496
(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[4-(trifluoromethyl)phenyl]piperazine
CID 159981198
phenyl 5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzoate
CID 8765391
N,N-diethyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 55335115
N-(2,5-dimethylphenyl)-5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzamide
CID 26909307
(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 27665354
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
CID 26590808

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoyl)piperazin-1-yl]propan-1-one (CID 55336704) is 2-methyl-1-[4-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoyl)piperazin-1-yl]propan-1-one is CC(C)C(=O)N1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)CC1.
What is the InChIKey of 2-methyl-1-[4-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoyl)piperazin-1-yl]propan-1-one?
The InChIKey is JZHGVTASXILSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O5S/c1-19(2)23(29)26-10-12-27(13-11-26)24(30)21-18-20(34(31,32)28-14-16-33-17-15-28)6-7-22(21)25-8-4-3-5-9-25/h6-7,18-19H,3-5,8-17H2,1-2H3.
What are the key properties of 2-methyl-1-[4-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoyl)piperazin-1-yl]propan-1-one?
2-methyl-1-[4-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoyl)piperazin-1-yl]propan-1-one has a molecular weight of 492.64 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 55336704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).