N-benzyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide

C26H31N3O4S — CID 15992054

IUPACN-benzyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N(CCc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C26H31N3O4S/c1-20-25(21(2)33-27-20)34(31,32)29-17-14-24(15-18-29)26(30)28(19-23-11-7-4-8-12-23)16-13-22-9-5-3-6-10-22/h3-12,24H,13-19H2,1-2H3
InChIKeyHTLNBUDHLXXXAP-UHFFFAOYSA-N
MW481.62 g/mol
LogP3.96
Rot. Bonds8

About N-benzyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide

N-benzyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide (PubChem CID 15992054) has the molecular formula C26H31N3O4S and a molecular weight of 481.62 g/mol. Its IUPAC name is N-benzyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide
PubChem CID15992054
Molecular FormulaC26H31N3O4S
Molecular Weight481.62 g/mol
Exact Mass481.20
IUPAC NameN-benzyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N(CCc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C26H31N3O4S/c1-20-25(21(2)33-27-20)34(31,32)29-17-14-24(15-18-29)26(30)28(19-23-11-7-4-8-12-23)16-13-22-9-5-3-6-10-22/h3-12,24H,13-19H2,1-2H3
InChIKeyHTLNBUDHLXXXAP-UHFFFAOYSA-N
XLogP3.96
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.62
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[benzyl-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]amino]propanoate
CID 55513989
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 24516705
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-ethylpiperidine-4-carboxamide
CID 55413369
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methyl-N-(2-phenylethyl)piperidin-3-amine
CID 45195580
1-(benzenesulfonyl)-N-benzyl-N-propylpiperidine-4-carboxamide
CID 26292200
N-benzyl-1-(2,6-dichlorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 27826689
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
CID 63846405
N-(2,3-dihydro-1H-inden-1-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide
CID 42941589
1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 26415263
N-benzyl-1-(2-fluorophenyl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 26292191
4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 90589443
N-(3-amino-2,2-dimethylpropyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119652416

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide (CID 15992054) is N-benzyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide is Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N(CCc2ccccc2)Cc2ccccc2)CC1.
What is the InChIKey of N-benzyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The InChIKey is HTLNBUDHLXXXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4S/c1-20-25(21(2)33-27-20)34(31,32)29-17-14-24(15-18-29)26(30)28(19-23-11-7-4-8-12-23)16-13-22-9-5-3-6-10-22/h3-12,24H,13-19H2,1-2H3.
What are the key properties of N-benzyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide?
N-benzyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide has a molecular weight of 481.62 g/mol, XLogP of 3.96, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 15992054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).