1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[1-(4-methoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide

C21H29N3O5S — CID 55560315

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[1-(4-methoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide
SMILESCOc1ccc(C(C)N(C)C(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C)C2)cc1
InChIInChI=1S/C21H29N3O5S/c1-14-20(16(3)29-22-14)30(26,27)24-12-6-7-18(13-24)21(25)23(4)15(2)17-8-10-19(28-5)11-9-17/h8-11,15,18H,6-7,12-13H2,1-5H3
InChIKeyIIJASERXGHZIED-UHFFFAOYSA-N
MW435.55 g/mol
LogP2.92
Rot. Bonds6

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[1-(4-methoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[1-(4-methoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide (PubChem CID 55560315) has the molecular formula C21H29N3O5S and a molecular weight of 435.55 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[1-(4-methoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[1-(4-methoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide
PubChem CID55560315
Molecular FormulaC21H29N3O5S
Molecular Weight435.55 g/mol
Exact Mass435.18
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[1-(4-methoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide
SMILESCOc1ccc(C(C)N(C)C(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C)C2)cc1
InChIInChI=1S/C21H29N3O5S/c1-14-20(16(3)29-22-14)30(26,27)24-12-6-7-18(13-24)21(25)23(4)15(2)17-8-10-19(28-5)11-9-17/h8-11,15,18H,6-7,12-13H2,1-5H3
InChIKeyIIJASERXGHZIED-UHFFFAOYSA-N
XLogP2.92
TPSA92.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[1-(4-methoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidine-3-carboxamide
CID 24532413
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 55588365
(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 30591150
(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 7030539
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 3756181
[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 25449303
[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 55463538
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-3-carboxamide
CID 55526450
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-ethyl-N-phenylpiperidine-3-carboxamide
CID 51265846
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 51264936
N-(4-anilinophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 55985081
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 51307617

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[1-(4-methoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[1-(4-methoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide (CID 55560315) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[1-(4-methoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[1-(4-methoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[1-(4-methoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide is COc1ccc(C(C)N(C)C(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C)C2)cc1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[1-(4-methoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is IIJASERXGHZIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O5S/c1-14-20(16(3)29-22-14)30(26,27)24-12-6-7-18(13-24)21(25)23(4)15(2)17-8-10-19(28-5)11-9-17/h8-11,15,18H,6-7,12-13H2,1-5H3.
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[1-(4-methoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[1-(4-methoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[1-(4-methoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 55560315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).