4-[3-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonyl-N-(2-morpholin-4-ylethyl)benzamide

C22H32N4O5S — CID 89237031

IUPAC4-[3-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESC=CC(=O)NC1CCN(S(=O)(=O)c2ccc(C(=O)NCCN3CCOCC3)cc2)CC1C
InChIInChI=1S/C22H32N4O5S/c1-3-21(27)24-20-8-10-26(16-17(20)2)32(29,30)19-6-4-18(5-7-19)22(28)23-9-11-25-12-14-31-15-13-25/h3-7,17,20H,1,8-16H2,2H3,(H,23,28)(H,24,27)
InChIKeyMHZOFIHRSLQCCR-UHFFFAOYSA-N
MW464.59 g/mol
LogP0.45
Rot. Bonds8

About 4-[3-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonyl-N-(2-morpholin-4-ylethyl)benzamide

4-[3-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonyl-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 89237031) has the molecular formula C22H32N4O5S and a molecular weight of 464.59 g/mol. Its IUPAC name is 4-[3-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonyl-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-[3-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonyl-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID89237031
Molecular FormulaC22H32N4O5S
Molecular Weight464.59 g/mol
Exact Mass464.21
IUPAC Name4-[3-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESC=CC(=O)NC1CCN(S(=O)(=O)c2ccc(C(=O)NCCN3CCOCC3)cc2)CC1C
InChIInChI=1S/C22H32N4O5S/c1-3-21(27)24-20-8-10-26(16-17(20)2)32(29,30)19-6-4-18(5-7-19)22(28)23-9-11-25-12-14-31-15-13-25/h3-7,17,20H,1,8-16H2,2H3,(H,23,28)(H,24,27)
InChIKeyMHZOFIHRSLQCCR-UHFFFAOYSA-N
XLogP0.45
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-tert-butylphenyl)ethyl]-4-[3-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 89238738
4-(4-methylpiperidin-1-yl)sulfonyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 8884155
N-[2-(oxan-4-yl)ethyl]-4-[4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 71454790
N-[1-(4-cyclohexylphenyl)sulfonyl-3-methylpiperidin-4-yl]prop-2-enamide
CID 89238392
4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide
CID 19258233
N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-[4-[(prop-2-enoylamino)methyl]piperidin-1-yl]sulfonylbenzamide
CID 89236254
N-(2-morpholin-4-ylethyl)-4-sulfamoylbenzamide
CID 25060315
5-[3-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonyl-N-(2-phenylethyl)furan-2-carboxamide
CID 89238955
N-[3-(3-methylpiperidin-1-yl)propyl]-4-morpholin-4-ylsulfonylbenzamide
CID 133189659
2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide
CID 6471941
N-benzyl-4-[3,5-dimethyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 89236684
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484

Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonyl-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 4-[3-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonyl-N-(2-morpholin-4-ylethyl)benzamide (CID 89237031) is 4-[3-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonyl-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-[3-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonyl-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-[3-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonyl-N-(2-morpholin-4-ylethyl)benzamide is C=CC(=O)NC1CCN(S(=O)(=O)c2ccc(C(=O)NCCN3CCOCC3)cc2)CC1C.
What is the InChIKey of 4-[3-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonyl-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is MHZOFIHRSLQCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O5S/c1-3-21(27)24-20-8-10-26(16-17(20)2)32(29,30)19-6-4-18(5-7-19)22(28)23-9-11-25-12-14-31-15-13-25/h3-7,17,20H,1,8-16H2,2H3,(H,23,28)(H,24,27).
What are the key properties of 4-[3-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonyl-N-(2-morpholin-4-ylethyl)benzamide?
4-[3-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonyl-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 464.59 g/mol, XLogP of 0.45, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonyl-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 89237031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).