N-[(4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide

C19H23N3O3S — CID 3244935

IUPACN-[(4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)cc1
InChIInChI=1S/C19H23N3O3S/c1-15-6-8-16(9-7-15)12-21-19(23)17-4-3-11-22(14-17)26(24,25)18-5-2-10-20-13-18/h2,5-10,13,17H,3-4,11-12,14H2,1H3,(H,21,23)
InChIKeyIMWRZWSKFBVWAI-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.11
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide

N-[(4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide (PubChem CID 3244935) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
PubChem CID3244935
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[(4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)cc1
InChIInChI=1S/C19H23N3O3S/c1-15-6-8-16(9-7-15)12-21-19(23)17-4-3-11-22(14-17)26(24,25)18-5-2-10-20-13-18/h2,5-10,13,17H,3-4,11-12,14H2,1H3,(H,21,23)
InChIKeyIMWRZWSKFBVWAI-UHFFFAOYSA-N
XLogP2.11
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 3242560
(3R)-1-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 1081586
(3R)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 95828955
(3S)-1-(4-bromophenyl)sulfonyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 2234236
1-(4-bromophenyl)sulfonyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 2978458
N-[(4-methylphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 3242642
(3R)-1-ethylsulfonyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 40515569
(3R)-N-(pyridin-3-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 7379275
N-(2-aminoethyl)-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 63253265
(3R)-1-(4-methoxyphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 1081627
N-[2-(4-chlorophenyl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 122175043
(3S)-1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 28562114

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide (CID 3244935) is N-[(4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide is Cc1ccc(CNC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is IMWRZWSKFBVWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-15-6-8-16(9-7-15)12-21-19(23)17-4-3-11-22(14-17)26(24,25)18-5-2-10-20-13-18/h2,5-10,13,17H,3-4,11-12,14H2,1H3,(H,21,23).
What are the key properties of N-[(4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
N-[(4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3244935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).