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

C15H25N3O4S — CID 27539426

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCC(C)C)CC1
InChIInChI=1S/C15H25N3O4S/c1-10(2)9-16-15(19)13-5-7-18(8-6-13)23(20,21)14-11(3)17-22-12(14)4/h10,13H,5-9H2,1-4H3,(H,16,19)
InChIKeyXXYVXGLKEMJDLY-UHFFFAOYSA-N
MW343.45 g/mol
LogP1.46
Rot. Bonds5

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

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylpropyl)piperidine-4-carboxamide (PubChem CID 27539426) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylpropyl)piperidine-4-carboxamide
PubChem CID27539426
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCC(C)C)CC1
InChIInChI=1S/C15H25N3O4S/c1-10(2)9-16-15(19)13-5-7-18(8-6-13)23(20,21)14-11(3)17-22-12(14)4/h10,13H,5-9H2,1-4H3,(H,16,19)
InChIKeyXXYVXGLKEMJDLY-UHFFFAOYSA-N
XLogP1.46
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 24658952
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-methylbutyl)propanamide
CID 53118750
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
CID 63846405
N-[(3,5-difluorophenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 55596929
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 167894608
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-methylpropanamide
CID 110823350
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-propan-2-ylpropanamide
CID 53118745
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(2-ethylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 3241123
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[1-(2-methylphenyl)ethyl]piperidine-4-carboxamide
CID 17481326
(2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 95088604
cis-(1R,3S)-3-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678996
N-[[(1R,3R)-1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 52720503

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylpropyl)piperidine-4-carboxamide (CID 27539426) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylpropyl)piperidine-4-carboxamide is Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCC(C)C)CC1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylpropyl)piperidine-4-carboxamide?
The InChIKey is XXYVXGLKEMJDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S/c1-10(2)9-16-15(19)13-5-7-18(8-6-13)23(20,21)14-11(3)17-22-12(14)4/h10,13H,5-9H2,1-4H3,(H,16,19).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylpropyl)piperidine-4-carboxamide?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylpropyl)piperidine-4-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 27539426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).