N-(oxan-4-yl)-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)propanamide

C18H27N3O4S — CID 91906139

IUPACN-(oxan-4-yl)-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)propanamide
SMILESCCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C18H27N3O4S/c1-2-18(22)21(16-7-12-25-13-8-16)15-5-10-20(11-6-15)26(23,24)17-4-3-9-19-14-17/h3-4,9,14-16H,2,5-8,10-13H2,1H3
InChIKeyARWHYABVOPJMQK-UHFFFAOYSA-N
MW381.50 g/mol
LogP1.65
Rot. Bonds5

About N-(oxan-4-yl)-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)propanamide

N-(oxan-4-yl)-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)propanamide (PubChem CID 91906139) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-(oxan-4-yl)-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)propanamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)propanamide
PubChem CID91906139
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC NameN-(oxan-4-yl)-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)propanamide
SMILESCCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C18H27N3O4S/c1-2-18(22)21(16-7-12-25-13-8-16)15-5-10-20(11-6-15)26(23,24)17-4-3-9-19-14-17/h3-4,9,14-16H,2,5-8,10-13H2,1H3
InChIKeyARWHYABVOPJMQK-UHFFFAOYSA-N
XLogP1.65
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)propanamide?
The IUPAC name of N-(oxan-4-yl)-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)propanamide (CID 91906139) is N-(oxan-4-yl)-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)propanamide.
What is the SMILES notation for N-(oxan-4-yl)-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)propanamide?
The canonical SMILES for N-(oxan-4-yl)-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)propanamide is CCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of N-(oxan-4-yl)-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)propanamide?
The InChIKey is ARWHYABVOPJMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-2-18(22)21(16-7-12-25-13-8-16)15-5-10-20(11-6-15)26(23,24)17-4-3-9-19-14-17/h3-4,9,14-16H,2,5-8,10-13H2,1H3.
What are the key properties of N-(oxan-4-yl)-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)propanamide?
N-(oxan-4-yl)-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)propanamide has a molecular weight of 381.50 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-N-(1-pyridin-3-ylsulfonylpiperidin-4-yl)propanamide is sourced from PubChem (CID 91906139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).