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

C24H31N3O5S — CID 121109551

IUPAC4-(4-methoxyphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxane-4-carboxamide
SMILESCOc1ccc(C2(C(=O)NCC3CCN(S(=O)(=O)c4cccnc4)CC3)CCOCC2)cc1
InChIInChI=1S/C24H31N3O5S/c1-31-21-6-4-20(5-7-21)24(10-15-32-16-11-24)23(28)26-17-19-8-13-27(14-9-19)33(29,30)22-3-2-12-25-18-22/h2-7,12,18-19H,8-11,13-17H2,1H3,(H,26,28)
InChIKeyAETLXDUCGMPBRP-UHFFFAOYSA-N
MW473.60 g/mol
LogP2.36
Rot. Bonds7

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

4-(4-methoxyphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxane-4-carboxamide (PubChem CID 121109551) has the molecular formula C24H31N3O5S and a molecular weight of 473.60 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxane-4-carboxamide
PubChem CID121109551
Molecular FormulaC24H31N3O5S
Molecular Weight473.60 g/mol
Exact Mass473.20
IUPAC Name4-(4-methoxyphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxane-4-carboxamide
SMILESCOc1ccc(C2(C(=O)NCC3CCN(S(=O)(=O)c4cccnc4)CC3)CCOCC2)cc1
InChIInChI=1S/C24H31N3O5S/c1-31-21-6-4-20(5-7-21)24(10-15-32-16-11-24)23(28)26-17-19-8-13-27(14-9-19)33(29,30)22-3-2-12-25-18-22/h2-7,12,18-19H,8-11,13-17H2,1H3,(H,26,28)
InChIKeyAETLXDUCGMPBRP-UHFFFAOYSA-N
XLogP2.36
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 90521668
N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 38653049
N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 121109983
N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 90521524
N-propyl-N'-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521045
N'-tert-butyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521047
N'-(oxolan-2-ylmethyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 71786370
1-(4-ethoxyphenyl)-3-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]urea
CID 90521691
1-methyl-2-oxo-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 90521554
N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]-1-benzofuran-2-carboxamide
CID 90521562
(E)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 90521658
1-[(4-methoxyphenyl)methyl]-4-pyridin-3-ylsulfonylpiperazine
CID 51079484

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxane-4-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxane-4-carboxamide (CID 121109551) is 4-(4-methoxyphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxane-4-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxane-4-carboxamide is COc1ccc(C2(C(=O)NCC3CCN(S(=O)(=O)c4cccnc4)CC3)CCOCC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxane-4-carboxamide?
The InChIKey is AETLXDUCGMPBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5S/c1-31-21-6-4-20(5-7-21)24(10-15-32-16-11-24)23(28)26-17-19-8-13-27(14-9-19)33(29,30)22-3-2-12-25-18-22/h2-7,12,18-19H,8-11,13-17H2,1H3,(H,26,28).
What are the key properties of 4-(4-methoxyphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxane-4-carboxamide?
4-(4-methoxyphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxane-4-carboxamide has a molecular weight of 473.60 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 121109551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).