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

C20H34N4O4S — CID 55526667

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)NCCCN2CCC(C)CC2)C1
InChIInChI=1S/C20H34N4O4S/c1-15-7-12-23(13-8-15)10-5-9-21-20(25)18-6-4-11-24(14-18)29(26,27)19-16(2)22-28-17(19)3/h15,18H,4-14H2,1-3H3,(H,21,25)
InChIKeyYUICPBVENCQHCV-UHFFFAOYSA-N
MW426.58 g/mol
LogP1.93
Rot. Bonds7

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

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide (PubChem CID 55526667) has the molecular formula C20H34N4O4S and a molecular weight of 426.58 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
PubChem CID55526667
Molecular FormulaC20H34N4O4S
Molecular Weight426.58 g/mol
Exact Mass426.23
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)NCCCN2CCC(C)CC2)C1
InChIInChI=1S/C20H34N4O4S/c1-15-7-12-23(13-8-15)10-5-9-21-20(25)18-6-4-11-24(14-18)29(26,27)19-16(2)22-28-17(19)3/h15,18H,4-14H2,1-3H3,(H,21,25)
InChIKeyYUICPBVENCQHCV-UHFFFAOYSA-N
XLogP1.93
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.58
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-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-[2-(diethylamino)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 55451540
N-[3-(4-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 4066550
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 55452204
(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)-N-cycloheptyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 40502064
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 20855589
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylbutan-2-yl)piperidine-3-carboxamide
CID 51265069
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 51264936
(2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 95088604
N-[4-(4-methylpiperidin-1-yl)butyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55716455
ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 2812656

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide (CID 55526667) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide is Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)NCCCN2CCC(C)CC2)C1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide?
The InChIKey is YUICPBVENCQHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O4S/c1-15-7-12-23(13-8-15)10-5-9-21-20(25)18-6-4-11-24(14-18)29(26,27)19-16(2)22-28-17(19)3/h15,18H,4-14H2,1-3H3,(H,21,25).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide has a molecular weight of 426.58 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 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-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 55526667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).