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

C19H23N3O3S — CID 3242851

IUPACN-(2-phenylethyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCCN(S(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C19H23N3O3S/c23-19(21-12-10-16-6-2-1-3-7-16)17-8-5-13-22(15-17)26(24,25)18-9-4-11-20-14-18/h1-4,6-7,9,11,14,17H,5,8,10,12-13,15H2,(H,21,23)
InChIKeyHUTZRIHNWRTCPP-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.84
Rot. Bonds6

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

N-(2-phenylethyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide (PubChem CID 3242851) 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-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
PubChem CID3242851
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-(2-phenylethyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCCN(S(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C19H23N3O3S/c23-19(21-12-10-16-6-2-1-3-7-16)17-8-5-13-22(15-17)26(24,25)18-9-4-11-20-14-18/h1-4,6-7,9,11,14,17H,5,8,10,12-13,15H2,(H,21,23)
InChIKeyHUTZRIHNWRTCPP-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-3-carboxamide?
The IUPAC name of N-(2-phenylethyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide (CID 3242851) is N-(2-phenylethyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide is O=C(NCCc1ccccc1)C1CCCN(S(=O)(=O)c2cccnc2)C1.
What is the InChIKey of N-(2-phenylethyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is HUTZRIHNWRTCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c23-19(21-12-10-16-6-2-1-3-7-16)17-8-5-13-22(15-17)26(24,25)18-9-4-11-20-14-18/h1-4,6-7,9,11,14,17H,5,8,10,12-13,15H2,(H,21,23).
What are the key properties of N-(2-phenylethyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
N-(2-phenylethyl)-1-pyridin-3-ylsulfonylpiperidine-3-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-3-carboxamide is sourced from PubChem (CID 3242851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).