N-(oxan-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]propanamide

C19H32N4O4S — CID 91916247

IUPACN-(oxan-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]propanamide
SMILESCCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1
InChIInChI=1S/C19H32N4O4S/c1-5-18(24)23(17-8-12-27-13-9-17)16-6-10-22(11-7-16)28(25,26)19-14(2)20-21(4)15(19)3/h16-17H,5-13H2,1-4H3
InChIKeyUKOUQCDJQWBOHD-UHFFFAOYSA-N
MW412.56 g/mol
LogP1.61
Rot. Bonds5

About N-(oxan-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]propanamide

N-(oxan-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]propanamide (PubChem CID 91916247) has the molecular formula C19H32N4O4S and a molecular weight of 412.56 g/mol. Its IUPAC name is N-(oxan-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]propanamide
PubChem CID91916247
Molecular FormulaC19H32N4O4S
Molecular Weight412.56 g/mol
Exact Mass412.21
IUPAC NameN-(oxan-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]propanamide
SMILESCCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1
InChIInChI=1S/C19H32N4O4S/c1-5-18(24)23(17-8-12-27-13-9-17)16-6-10-22(11-7-16)28(25,26)19-14(2)20-21(4)15(19)3/h16-17H,5-13H2,1-4H3
InChIKeyUKOUQCDJQWBOHD-UHFFFAOYSA-N
XLogP1.61
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]propanamide?
The IUPAC name of N-(oxan-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]propanamide (CID 91916247) is N-(oxan-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]propanamide.
What is the SMILES notation for N-(oxan-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]propanamide?
The canonical SMILES for N-(oxan-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]propanamide is CCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1.
What is the InChIKey of N-(oxan-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]propanamide?
The InChIKey is UKOUQCDJQWBOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O4S/c1-5-18(24)23(17-8-12-27-13-9-17)16-6-10-22(11-7-16)28(25,26)19-14(2)20-21(4)15(19)3/h16-17H,5-13H2,1-4H3.
What are the key properties of N-(oxan-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]propanamide?
N-(oxan-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]propanamide has a molecular weight of 412.56 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]propanamide is sourced from PubChem (CID 91916247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).