1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide

C23H32N4O5S — CID 24516705

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1
InChIInChI=1S/C23H32N4O5S/c1-17-22(18(2)32-24-17)33(29,30)27-10-8-20(9-11-27)23(28)25(3)16-19-4-6-21(7-5-19)26-12-14-31-15-13-26/h4-7,20H,8-16H2,1-3H3
InChIKeyFJEBITNKHYVBFY-UHFFFAOYSA-N
MW476.60 g/mol
LogP2.19
Rot. Bonds6

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 24516705) has the molecular formula C23H32N4O5S and a molecular weight of 476.60 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide
PubChem CID24516705
Molecular FormulaC23H32N4O5S
Molecular Weight476.60 g/mol
Exact Mass476.21
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1
InChIInChI=1S/C23H32N4O5S/c1-17-22(18(2)32-24-17)33(29,30)27-10-8-20(9-11-27)23(28)25(3)16-19-4-6-21(7-5-19)26-12-14-31-15-13-26/h4-7,20H,8-16H2,1-3H3
InChIKeyFJEBITNKHYVBFY-UHFFFAOYSA-N
XLogP2.19
TPSA96.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 15992054
N-(3-amino-2,2-dimethylpropyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119652416
methyl 3-[benzyl-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]amino]propanoate
CID 55513989
[4-(4-chlorophenyl)piperazin-1-yl]-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methanone
CID 3240304
N-[(6-chloro-3-pyridinyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-3-carboxamide
CID 78851154
N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 56538529
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
CID 63846405
1-(4-acetylphenyl)sulfonyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpiperidine-4-carboxamide
CID 55621390
N-(2,3-dihydro-1H-inden-1-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide
CID 42941589
N-[[4-(dimethylamino)phenyl]methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-ethylpiperidine-3-carboxamide
CID 55455255
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]piperidine-4-carboxamide
CID 31393259
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methanol
CID 39373161

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide (CID 24516705) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide is Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is FJEBITNKHYVBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O5S/c1-17-22(18(2)32-24-17)33(29,30)27-10-8-20(9-11-27)23(28)25(3)16-19-4-6-21(7-5-19)26-12-14-31-15-13-26/h4-7,20H,8-16H2,1-3H3.
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 476.60 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 24516705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).