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

C17H28N4O4S — CID 120577777

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylpiperidin-3-yl)piperidine-4-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NC2CCCNC2C)CC1
InChIInChI=1S/C17H28N4O4S/c1-11-15(5-4-8-18-11)19-17(22)14-6-9-21(10-7-14)26(23,24)16-12(2)20-25-13(16)3/h11,14-15,18H,4-10H2,1-3H3,(H,19,22)
InChIKeyVDKCSNBLDAJKFH-UHFFFAOYSA-N
MW384.50 g/mol
LogP0.95
Rot. Bonds4

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

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylpiperidin-3-yl)piperidine-4-carboxamide (PubChem CID 120577777) has the molecular formula C17H28N4O4S and a molecular weight of 384.50 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylpiperidin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylpiperidin-3-yl)piperidine-4-carboxamide
PubChem CID120577777
Molecular FormulaC17H28N4O4S
Molecular Weight384.50 g/mol
Exact Mass384.18
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylpiperidin-3-yl)piperidine-4-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NC2CCCNC2C)CC1
InChIInChI=1S/C17H28N4O4S/c1-11-15(5-4-8-18-11)19-17(22)14-6-9-21(10-7-14)26(23,24)16-12(2)20-25-13(16)3/h11,14-15,18H,4-10H2,1-3H3,(H,19,22)
InChIKeyVDKCSNBLDAJKFH-UHFFFAOYSA-N
XLogP0.95
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

cis-(1R,3S)-3-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678996
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone
CID 120573054
3,5-dimethyl-4-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonyl-1,2-oxazole
CID 63259650
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
CID 63846405
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 27539426
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 7092142
1-methyl-N-(2-methylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride
CID 120576315
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-methylpropanamide
CID 110823350
N-[(3,5-difluorophenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 55596929
1-[[5-[(E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(1S,2S)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 92662199
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120618871
(3R)-N-cycloheptyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 40502064

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylpiperidin-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylpiperidin-3-yl)piperidine-4-carboxamide (CID 120577777) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylpiperidin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylpiperidin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylpiperidin-3-yl)piperidine-4-carboxamide is Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NC2CCCNC2C)CC1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylpiperidin-3-yl)piperidine-4-carboxamide?
The InChIKey is VDKCSNBLDAJKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O4S/c1-11-15(5-4-8-18-11)19-17(22)14-6-9-21(10-7-14)26(23,24)16-12(2)20-25-13(16)3/h11,14-15,18H,4-10H2,1-3H3,(H,19,22).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylpiperidin-3-yl)piperidine-4-carboxamide?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylpiperidin-3-yl)piperidine-4-carboxamide has a molecular weight of 384.50 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 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-(2-methylpiperidin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 120577777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).