1-(4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide

C19H23N3O4S — CID 2981499

IUPAC1-(4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)NCc3ccncc3)C2)cc1
InChIInChI=1S/C19H23N3O4S/c1-26-17-4-6-18(7-5-17)27(24,25)22-12-2-3-16(14-22)19(23)21-13-15-8-10-20-11-9-15/h4-11,16H,2-3,12-14H2,1H3,(H,21,23)
InChIKeyVNVHJAKKRMKQKL-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.81
Rot. Bonds6

About 1-(4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide

1-(4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide (PubChem CID 2981499) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
PubChem CID2981499
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name1-(4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)NCc3ccncc3)C2)cc1
InChIInChI=1S/C19H23N3O4S/c1-26-17-4-6-18(7-5-17)27(24,25)22-12-2-3-16(14-22)19(23)21-13-15-8-10-20-11-9-15/h4-11,16H,2-3,12-14H2,1H3,(H,21,23)
InChIKeyVNVHJAKKRMKQKL-UHFFFAOYSA-N
XLogP1.81
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide (CID 2981499) is 1-(4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide is COc1ccc(S(=O)(=O)N2CCCC(C(=O)NCc3ccncc3)C2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The InChIKey is VNVHJAKKRMKQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-26-17-4-6-18(7-5-17)27(24,25)22-12-2-3-16(14-22)19(23)21-13-15-8-10-20-11-9-15/h4-11,16H,2-3,12-14H2,1H3,(H,21,23).
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
1-(4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 2981499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).