4-phenyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxane-4-carboxamide

C23H29N3O4S — CID 71786666

IUPAC4-phenyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxane-4-carboxamide
SMILESO=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C23H29N3O4S/c27-22(23(10-15-30-16-11-23)20-5-2-1-3-6-20)25-17-19-8-13-26(14-9-19)31(28,29)21-7-4-12-24-18-21/h1-7,12,18-19H,8-11,13-17H2,(H,25,27)
InChIKeyKURDMDPEUGEJLN-UHFFFAOYSA-N
MW443.57 g/mol
LogP2.35
Rot. Bonds6

About 4-phenyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxane-4-carboxamide

4-phenyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxane-4-carboxamide (PubChem CID 71786666) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is 4-phenyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxane-4-carboxamide
PubChem CID71786666
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC Name4-phenyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxane-4-carboxamide
SMILESO=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C23H29N3O4S/c27-22(23(10-15-30-16-11-23)20-5-2-1-3-6-20)25-17-19-8-13-26(14-9-19)31(28,29)21-7-4-12-24-18-21/h1-7,12,18-19H,8-11,13-17H2,(H,25,27)
InChIKeyKURDMDPEUGEJLN-UHFFFAOYSA-N
XLogP2.35
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxane-4-carboxamide?
The IUPAC name of 4-phenyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxane-4-carboxamide (CID 71786666) is 4-phenyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-phenyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxane-4-carboxamide?
The canonical SMILES for 4-phenyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxane-4-carboxamide is O=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of 4-phenyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxane-4-carboxamide?
The InChIKey is KURDMDPEUGEJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c27-22(23(10-15-30-16-11-23)20-5-2-1-3-6-20)25-17-19-8-13-26(14-9-19)31(28,29)21-7-4-12-24-18-21/h1-7,12,18-19H,8-11,13-17H2,(H,25,27).
What are the key properties of 4-phenyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxane-4-carboxamide?
4-phenyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxane-4-carboxamide has a molecular weight of 443.57 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 71786666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).