N-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]oxolane-3-carboxamide

C17H31N3O4S — CID 131907956

IUPACN-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]oxolane-3-carboxamide
SMILESCC1CCN(S(=O)(=O)N2CCC(CNC(=O)C3CCOC3)CC2)CC1
InChIInChI=1S/C17H31N3O4S/c1-14-2-7-19(8-3-14)25(22,23)20-9-4-15(5-10-20)12-18-17(21)16-6-11-24-13-16/h14-16H,2-13H2,1H3,(H,18,21)
InChIKeyBPJUPEXDUSOHIK-UHFFFAOYSA-N
MW373.52 g/mol
LogP0.83
Rot. Bonds5

About N-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]oxolane-3-carboxamide

N-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]oxolane-3-carboxamide (PubChem CID 131907956) has the molecular formula C17H31N3O4S and a molecular weight of 373.52 g/mol. Its IUPAC name is N-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]oxolane-3-carboxamide
PubChem CID131907956
Molecular FormulaC17H31N3O4S
Molecular Weight373.52 g/mol
Exact Mass373.20
IUPAC NameN-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]oxolane-3-carboxamide
SMILESCC1CCN(S(=O)(=O)N2CCC(CNC(=O)C3CCOC3)CC2)CC1
InChIInChI=1S/C17H31N3O4S/c1-14-2-7-19(8-3-14)25(22,23)20-9-4-15(5-10-20)12-18-17(21)16-6-11-24-13-16/h14-16H,2-13H2,1H3,(H,18,21)
InChIKeyBPJUPEXDUSOHIK-UHFFFAOYSA-N
XLogP0.83
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethoxypropyl)-1-(piperidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3235671
1-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 3244851
N-(3-Methoxypropyl)-1-(piperidine-1-sulfonyl)piperidine-4-carboxamide
CID 3368782
N-(3-methoxypropyl)-1-[(4-methylpiperidin-1-yl)sulfonyl]piperidine-4-carboxamide
CID 3469530
N-(3-ethoxypropyl)-1-[(4-methylpiperidin-1-yl)sulfonyl]piperidine-4-carboxamide
CID 4448286
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 7080925
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 7080926
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 7080927
N-(piperidin-4-ylmethyl)oxolane-3-carboxamide
CID 61271599
N-methyl-N-(2-piperidin-4-ylethyl)oxolane-3-carboxamide
CID 61272793
N-(2-piperidin-4-ylethyl)oxolane-3-carboxamide
CID 61272794
1-(Oxolane-3-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
CID 61277514

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]oxolane-3-carboxamide?
The IUPAC name of N-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]oxolane-3-carboxamide (CID 131907956) is N-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]oxolane-3-carboxamide?
The canonical SMILES for N-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]oxolane-3-carboxamide is CC1CCN(S(=O)(=O)N2CCC(CNC(=O)C3CCOC3)CC2)CC1.
What is the InChIKey of N-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]oxolane-3-carboxamide?
The InChIKey is BPJUPEXDUSOHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O4S/c1-14-2-7-19(8-3-14)25(22,23)20-9-4-15(5-10-20)12-18-17(21)16-6-11-24-13-16/h14-16H,2-13H2,1H3,(H,18,21).
What are the key properties of N-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]oxolane-3-carboxamide?
N-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]oxolane-3-carboxamide has a molecular weight of 373.52 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 131907956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).