N-(2-phenylethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

C19H23N3O3S — CID 5309593

IUPACN-(2-phenylethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C19H23N3O3S/c23-19(21-12-8-16-5-2-1-3-6-16)17-9-13-22(14-10-17)26(24,25)18-7-4-11-20-15-18/h1-7,11,15,17H,8-10,12-14H2,(H,21,23)
InChIKeyOFOXQAJXSPCQSP-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.84
Rot. Bonds6

About N-(2-phenylethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

N-(2-phenylethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (PubChem CID 5309593) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-(2-phenylethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
PubChem CID5309593
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-(2-phenylethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C19H23N3O3S/c23-19(21-12-8-16-5-2-1-3-6-16)17-9-13-22(14-10-17)26(24,25)18-7-4-11-20-15-18/h1-7,11,15,17H,8-10,12-14H2,(H,21,23)
InChIKeyOFOXQAJXSPCQSP-UHFFFAOYSA-N
XLogP1.84
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-phenylethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (CID 5309593) is N-(2-phenylethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is O=C(NCCc1ccccc1)C1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of N-(2-phenylethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is OFOXQAJXSPCQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c23-19(21-12-8-16-5-2-1-3-6-16)17-9-13-22(14-10-17)26(24,25)18-7-4-11-20-15-18/h1-7,11,15,17H,8-10,12-14H2,(H,21,23).
What are the key properties of N-(2-phenylethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
N-(2-phenylethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 5309593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).