1-(4-ethoxyphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

C20H25N3O4S — CID 2987991

IUPAC1-(4-ethoxyphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccn3)CC2)cc1
InChIInChI=1S/C20H25N3O4S/c1-2-27-18-6-8-19(9-7-18)28(25,26)23-13-10-16(11-14-23)20(24)22-15-17-5-3-4-12-21-17/h3-9,12,16H,2,10-11,13-15H2,1H3,(H,22,24)
InChIKeyUMUOTXHWTLGGIP-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.20
Rot. Bonds7

About 1-(4-ethoxyphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

1-(4-ethoxyphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 2987991) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID2987991
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name1-(4-ethoxyphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccn3)CC2)cc1
InChIInChI=1S/C20H25N3O4S/c1-2-27-18-6-8-19(9-7-18)28(25,26)23-13-10-16(11-14-23)20(24)22-15-17-5-3-4-12-21-17/h3-9,12,16H,2,10-11,13-15H2,1H3,(H,22,24)
InChIKeyUMUOTXHWTLGGIP-UHFFFAOYSA-N
XLogP2.20
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 2987991) is 1-(4-ethoxyphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-ethoxyphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-ethoxyphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccn3)CC2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is UMUOTXHWTLGGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-2-27-18-6-8-19(9-7-18)28(25,26)23-13-10-16(11-14-23)20(24)22-15-17-5-3-4-12-21-17/h3-9,12,16H,2,10-11,13-15H2,1H3,(H,22,24).
What are the key properties of 1-(4-ethoxyphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
1-(4-ethoxyphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 403.50 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 2987991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).