N-(3-amino-2,2-dimethylpropyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide;hydrochloride

C17H31ClN4O4S — CID 119652416

IUPACN-(3-amino-2,2-dimethylpropyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide;hydrochloride
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N(C)CC(C)(C)CN)CC1.Cl
InChIInChI=1S/C17H30N4O4S.ClH/c1-12-15(13(2)25-19-12)26(23,24)21-8-6-14(7-9-21)16(22)20(5)11-17(3,4)10-18;/h14H,6-11,18H2,1-5H3;1H
InChIKeyFFZCRUWSNRFOFR-UHFFFAOYSA-N
MW422.98 g/mol
LogP1.56
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 119652416) has the molecular formula C17H31ClN4O4S and a molecular weight of 422.98 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID119652416
Molecular FormulaC17H31ClN4O4S
Molecular Weight422.98 g/mol
Exact Mass422.18
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide;hydrochloride
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N(C)CC(C)(C)CN)CC1.Cl
InChIInChI=1S/C17H30N4O4S.ClH/c1-12-15(13(2)25-19-12)26(23,24)21-8-6-14(7-9-21)16(22)20(5)11-17(3,4)10-18;/h14H,6-11,18H2,1-5H3;1H
InChIKeyFFZCRUWSNRFOFR-UHFFFAOYSA-N
XLogP1.56
TPSA109.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.98
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
CID 63846405
N-(3-amino-2,2-dimethylpropyl)-1-(3,4-dimethylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 119653551
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 24516705
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methanol
CID 39373161
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 27539426
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-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978160
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methyl-N-(3,3,3-trifluoropropyl)piperidine-3-carboxamide
CID 86833522
N-benzyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 15992054
O-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methyl]hydroxylamine
CID 39392885
3-cyanopropyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate
CID 43056507
1-(4-acetylphenyl)sulfonyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpiperidine-4-carboxamide
CID 55621390

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide;hydrochloride (CID 119652416) is N-(3-amino-2,2-dimethylpropyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide;hydrochloride is Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N(C)CC(C)(C)CN)CC1.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is FFZCRUWSNRFOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O4S.ClH/c1-12-15(13(2)25-19-12)26(23,24)21-8-6-14(7-9-21)16(22)20(5)11-17(3,4)10-18;/h14H,6-11,18H2,1-5H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 422.98 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119652416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).