cyclobutyl-[4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone

C22H31N3O5S — CID 56512642

IUPACcyclobutyl-[4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN(C(=O)C3CCC3)CC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H31N3O5S/c1-2-17-6-7-19(16-20(17)31(28,29)25-12-14-30-15-13-25)22(27)24-10-8-23(9-11-24)21(26)18-4-3-5-18/h6-7,16,18H,2-5,8-15H2,1H3
InChIKeyQCPYSSWISGNXOO-UHFFFAOYSA-N
MW449.57 g/mol
LogP1.35
Rot. Bonds5

About cyclobutyl-[4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone

cyclobutyl-[4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone (PubChem CID 56512642) has the molecular formula C22H31N3O5S and a molecular weight of 449.57 g/mol. Its IUPAC name is cyclobutyl-[4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone
PubChem CID56512642
Molecular FormulaC22H31N3O5S
Molecular Weight449.57 g/mol
Exact Mass449.20
IUPAC Namecyclobutyl-[4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCN(C(=O)C3CCC3)CC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H31N3O5S/c1-2-17-6-7-19(16-20(17)31(28,29)25-12-14-30-15-13-25)22(27)24-10-8-23(9-11-24)21(26)18-4-3-5-18/h6-7,16,18H,2-5,8-15H2,1H3
InChIKeyQCPYSSWISGNXOO-UHFFFAOYSA-N
XLogP1.35
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.57
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55578649
(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 43058655
[4-(4-chlorophenyl)piperazin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone
CID 55970681
[2-(aminomethyl)pyrrolidin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone
CID 119631558
(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119649218
[1-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 55949051
3-[1-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 55575751
2-ethyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride
CID 65370060
azepan-1-yl-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone
CID 7964090
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 1087746
4-ethyl-3-morpholin-4-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510642
N-butan-2-yl-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46584081

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone (CID 56512642) is cyclobutyl-[4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone is CCc1ccc(C(=O)N2CCN(C(=O)C3CCC3)CC2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of cyclobutyl-[4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone?
The InChIKey is QCPYSSWISGNXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O5S/c1-2-17-6-7-19(16-20(17)31(28,29)25-12-14-30-15-13-25)22(27)24-10-8-23(9-11-24)21(26)18-4-3-5-18/h6-7,16,18H,2-5,8-15H2,1H3.
What are the key properties of cyclobutyl-[4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone?
cyclobutyl-[4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone has a molecular weight of 449.57 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 56512642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).