1-(benzenesulfonyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]piperidine-3-carboxamide

C25H27N3O5S — CID 46480295

IUPAC1-(benzenesulfonyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)cc1OCc1cccnc1
InChIInChI=1S/C25H27N3O5S/c1-32-23-12-11-21(15-24(23)33-18-19-7-5-13-26-16-19)27-25(29)20-8-6-14-28(17-20)34(30,31)22-9-3-2-4-10-22/h2-5,7,9-13,15-16,20H,6,8,14,17-18H2,1H3,(H,27,29)
InChIKeyCLCDJJLOAXEUTJ-UHFFFAOYSA-N
MW481.57 g/mol
LogP3.71
Rot. Bonds8

About 1-(benzenesulfonyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]piperidine-3-carboxamide

1-(benzenesulfonyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]piperidine-3-carboxamide (PubChem CID 46480295) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]piperidine-3-carboxamide
PubChem CID46480295
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC Name1-(benzenesulfonyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)cc1OCc1cccnc1
InChIInChI=1S/C25H27N3O5S/c1-32-23-12-11-21(15-24(23)33-18-19-7-5-13-26-16-19)27-25(29)20-8-6-14-28(17-20)34(30,31)22-9-3-2-4-10-22/h2-5,7,9-13,15-16,20H,6,8,14,17-18H2,1H3,(H,27,29)
InChIKeyCLCDJJLOAXEUTJ-UHFFFAOYSA-N
XLogP3.71
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]piperidine-3-carboxamide
CID 60563088
(3R)-1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-3-carboxamide
CID 38708605
(3S)-1-(benzenesulfonyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100660535
(3R)-1-(3,4-dimethoxyphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 7420377
1-(4-methoxy-3-methylphenyl)sulfonyl-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide
CID 2979703
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-4-morpholin-4-ylsulfonylbenzamide
CID 43069792
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-pyridin-3-ylpiperidine-3-carboxamide
CID 1457049
1-(4-bromophenyl)sulfonyl-N-(3,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 4045668
(3R)-N-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 26690986
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 43069830
(3S)-N-(3,4-dimethoxyphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447145
1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 2991035

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]piperidine-3-carboxamide (CID 46480295) is 1-(benzenesulfonyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]piperidine-3-carboxamide is COc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)cc1OCc1cccnc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]piperidine-3-carboxamide?
The InChIKey is CLCDJJLOAXEUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5S/c1-32-23-12-11-21(15-24(23)33-18-19-7-5-13-26-16-19)27-25(29)20-8-6-14-28(17-20)34(30,31)22-9-3-2-4-10-22/h2-5,7,9-13,15-16,20H,6,8,14,17-18H2,1H3,(H,27,29).
What are the key properties of 1-(benzenesulfonyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]piperidine-3-carboxamide?
1-(benzenesulfonyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]piperidine-3-carboxamide has a molecular weight of 481.57 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 46480295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).