N-(2,3-dihydro-1H-inden-1-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide

C21H27N3O4S — CID 42941589

IUPACN-(2,3-dihydro-1H-inden-1-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N(C)C2CCc3ccccc32)CC1
InChIInChI=1S/C21H27N3O4S/c1-14-20(15(2)28-22-14)29(26,27)24-12-10-17(11-13-24)21(25)23(3)19-9-8-16-6-4-5-7-18(16)19/h4-7,17,19H,8-13H2,1-3H3
InChIKeyCQKBYDBATQWMKI-UHFFFAOYSA-N
MW417.53 g/mol
LogP2.84
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-1-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide

N-(2,3-dihydro-1H-inden-1-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide (PubChem CID 42941589) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide
PubChem CID42941589
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N(C)C2CCc3ccccc32)CC1
InChIInChI=1S/C21H27N3O4S/c1-14-20(15(2)28-22-14)29(26,27)24-12-10-17(11-13-24)21(25)23(3)19-9-8-16-6-4-5-7-18(16)19/h4-7,17,19H,8-13H2,1-3H3
InChIKeyCQKBYDBATQWMKI-UHFFFAOYSA-N
XLogP2.84
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 7092142
N-benzyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 15992054
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
CID 63846405
N-(3-amino-2,2-dimethylpropyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119652416
N-(2,3-dihydro-1H-inden-1-yl)-N-methyloxane-4-carboxamide
CID 75868866
4-(1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-ylsulfonyl)-3,5-dimethyl-1,2-oxazole
CID 110290909
N-(2,3-dihydro-1H-inden-1-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
CID 42885693
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-fluorophenyl)piperidine-4-carboxamide
CID 26688834
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
tert-butyl 4-[2,3-dihydro-1H-inden-1-yl(methyl)carbamoyl]piperidine-1-carboxylate
CID 42941581
1-(3-chloro-4-fluorophenyl)sulfonyl-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 46555058
methyl 3-[benzyl-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]amino]propanoate
CID 55513989

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide (CID 42941589) is N-(2,3-dihydro-1H-inden-1-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide is Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N(C)C2CCc3ccccc32)CC1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is CQKBYDBATQWMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-14-20(15(2)28-22-14)29(26,27)24-12-10-17(11-13-24)21(25)23(3)19-9-8-16-6-4-5-7-18(16)19/h4-7,17,19H,8-13H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide?
N-(2,3-dihydro-1H-inden-1-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 417.53 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 42941589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).