N,N-dimethyl-3-[[3-(4-methylphenyl)sulfonyl-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride

C19H26ClN3O4S — CID 154729802

IUPACN,N-dimethyl-3-[[3-(4-methylphenyl)sulfonyl-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)c2cc(CC3(C(=O)N(C)C)CCCNC3)on2)cc1.Cl
InChIInChI=1S/C19H25N3O4S.ClH/c1-14-5-7-16(8-6-14)27(24,25)17-11-15(26-21-17)12-19(18(23)22(2)3)9-4-10-20-13-19;/h5-8,11,20H,4,9-10,12-13H2,1-3H3;1H
InChIKeyHKDGQOUDKYQXMU-UHFFFAOYSA-N
MW427.95 g/mol
LogP2.24
Rot. Bonds5

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

N,N-dimethyl-3-[[3-(4-methylphenyl)sulfonyl-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 154729802) has the molecular formula C19H26ClN3O4S and a molecular weight of 427.95 g/mol. Its IUPAC name is N,N-dimethyl-3-[[3-(4-methylphenyl)sulfonyl-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-3-[[3-(4-methylphenyl)sulfonyl-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride
PubChem CID154729802
Molecular FormulaC19H26ClN3O4S
Molecular Weight427.95 g/mol
Exact Mass427.13
IUPAC NameN,N-dimethyl-3-[[3-(4-methylphenyl)sulfonyl-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)c2cc(CC3(C(=O)N(C)C)CCCNC3)on2)cc1.Cl
InChIInChI=1S/C19H25N3O4S.ClH/c1-14-5-7-16(8-6-14)27(24,25)17-11-15(26-21-17)12-19(18(23)22(2)3)9-4-10-20-13-19;/h5-8,11,20H,4,9-10,12-13H2,1-3H3;1H
InChIKeyHKDGQOUDKYQXMU-UHFFFAOYSA-N
XLogP2.24
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.95
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-3-[[3-(4-methylphenyl)sulfonyl-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride with MolForge

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Related Compounds

(3S)-N,N-dimethyl-3-[[4-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide
CID 95851565
3-benzyl-N,N-dimethylpiperidine-3-carboxamide
CID 86184563
(3R)-N,N-dimethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 51585867
N,N-dimethyl-1-(3-methylbutanoyl)-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide
CID 46974062
(3R)-1-(2-cyclopentylacetyl)-N,N-dimethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide
CID 95855544
(3R)-N,N-dimethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide
CID 95855552
3-[(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid
CID 63132715
[3-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 110234801
(3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 95804070
3-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]-N-prop-2-ynylpiperidine-3-carboxamide
CID 110234794
(2,5-dimethylphenyl)-(3-ethylpiperidin-3-yl)methanone
CID 116568719
3-ethyl-N-(3-methyl-1,2-oxazol-5-yl)piperidine-3-carboxamide
CID 63132332

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[3-(4-methylphenyl)sulfonyl-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N,N-dimethyl-3-[[3-(4-methylphenyl)sulfonyl-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride (CID 154729802) is N,N-dimethyl-3-[[3-(4-methylphenyl)sulfonyl-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N,N-dimethyl-3-[[3-(4-methylphenyl)sulfonyl-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N,N-dimethyl-3-[[3-(4-methylphenyl)sulfonyl-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride is Cc1ccc(S(=O)(=O)c2cc(CC3(C(=O)N(C)C)CCCNC3)on2)cc1.Cl.
What is the InChIKey of N,N-dimethyl-3-[[3-(4-methylphenyl)sulfonyl-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is HKDGQOUDKYQXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S.ClH/c1-14-5-7-16(8-6-14)27(24,25)17-11-15(26-21-17)12-19(18(23)22(2)3)9-4-10-20-13-19;/h5-8,11,20H,4,9-10,12-13H2,1-3H3;1H.
What are the key properties of N,N-dimethyl-3-[[3-(4-methylphenyl)sulfonyl-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride?
N,N-dimethyl-3-[[3-(4-methylphenyl)sulfonyl-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 427.95 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[3-(4-methylphenyl)sulfonyl-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 154729802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).