1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide

C18H33N3O4S — CID 20968242

IUPAC1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
SMILESCC1CC(C)CN(S(=O)(=O)N2CCCC(C(=O)NCC3CCCO3)C2)C1
InChIInChI=1S/C18H33N3O4S/c1-14-9-15(2)12-21(11-14)26(23,24)20-7-3-5-16(13-20)18(22)19-10-17-6-4-8-25-17/h14-17H,3-13H2,1-2H3,(H,19,22)
InChIKeyIRESUUWLVIGVPR-UHFFFAOYSA-N
MW387.55 g/mol
LogP1.22
Rot. Bonds5

About 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide

1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 20968242) has the molecular formula C18H33N3O4S and a molecular weight of 387.55 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
PubChem CID20968242
Molecular FormulaC18H33N3O4S
Molecular Weight387.55 g/mol
Exact Mass387.22
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
SMILESCC1CC(C)CN(S(=O)(=O)N2CCCC(C(=O)NCC3CCCO3)C2)C1
InChIInChI=1S/C18H33N3O4S/c1-14-9-15(2)12-21(11-14)26(23,24)20-7-3-5-16(13-20)18(22)19-10-17-6-4-8-25-17/h14-17H,3-13H2,1-2H3,(H,19,22)
InChIKeyIRESUUWLVIGVPR-UHFFFAOYSA-N
XLogP1.22
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-2-ylmethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 4131826
(3R)-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 124748940
(3S)-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 124748941
1-(5-methylthiophen-2-yl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 46521915
(3S)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide
CID 98477781
(3S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]piperidine-3-carboxamide
CID 98477675
N-(oxolan-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 18102027
methyl N-[4-[(3R)-3-[[(2S)-oxolan-2-yl]methylcarbamoyl]piperidin-1-yl]sulfonylphenyl]carbamate
CID 6551868
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 15999456
N-[[(2S)-oxolan-2-yl]methyl]-1-sulfamoylpiperidine-4-carboxamide
CID 95158485
1-(2-methoxy-5-methylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 2974550
(3R)-N-(1,3-benzodioxol-5-ylmethyl)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylpiperidine-3-carboxamide
CID 92696285

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide (CID 20968242) is 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide is CC1CC(C)CN(S(=O)(=O)N2CCCC(C(=O)NCC3CCCO3)C2)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is IRESUUWLVIGVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O4S/c1-14-9-15(2)12-21(11-14)26(23,24)20-7-3-5-16(13-20)18(22)19-10-17-6-4-8-25-17/h14-17H,3-13H2,1-2H3,(H,19,22).
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide?
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 387.55 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 20968242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).