4-[(2-methylphenyl)sulfonylmethyl]-N-pyridin-4-ylpiperidine-1-carboxamide

C19H23N3O3S — CID 122430799

IUPAC4-[(2-methylphenyl)sulfonylmethyl]-N-pyridin-4-ylpiperidine-1-carboxamide
SMILESCc1ccccc1S(=O)(=O)CC1CCN(C(=O)Nc2ccncc2)CC1
InChIInChI=1S/C19H23N3O3S/c1-15-4-2-3-5-18(15)26(24,25)14-16-8-12-22(13-9-16)19(23)21-17-6-10-20-11-7-17/h2-7,10-11,16H,8-9,12-14H2,1H3,(H,20,21,23)
InChIKeyGPHASKKUYGLBBP-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.11
Rot. Bonds4

About 4-[(2-methylphenyl)sulfonylmethyl]-N-pyridin-4-ylpiperidine-1-carboxamide

4-[(2-methylphenyl)sulfonylmethyl]-N-pyridin-4-ylpiperidine-1-carboxamide (PubChem CID 122430799) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 4-[(2-methylphenyl)sulfonylmethyl]-N-pyridin-4-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-methylphenyl)sulfonylmethyl]-N-pyridin-4-ylpiperidine-1-carboxamide
PubChem CID122430799
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name4-[(2-methylphenyl)sulfonylmethyl]-N-pyridin-4-ylpiperidine-1-carboxamide
SMILESCc1ccccc1S(=O)(=O)CC1CCN(C(=O)Nc2ccncc2)CC1
InChIInChI=1S/C19H23N3O3S/c1-15-4-2-3-5-18(15)26(24,25)14-16-8-12-22(13-9-16)19(23)21-17-6-10-20-11-7-17/h2-7,10-11,16H,8-9,12-14H2,1H3,(H,20,21,23)
InChIKeyGPHASKKUYGLBBP-UHFFFAOYSA-N
XLogP3.11
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopropylmethyl)-N-pyridin-4-ylpiperazine-1-carboxamide
CID 47071641
4-(propylamino)-N-pyridin-4-ylpiperidine-1-carboxamide
CID 143091421
2-(2-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993661
4-N-(4-methyl-3-sulfamoylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 55363749
3-[(4-fluorophenyl)methyl]-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138996907
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
N-(3,4-dimethylphenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 90495360
1-[4-(benzenesulfonylmethyl)piperidin-1-yl]ethanone
CID 110661935
3-ethyl-4-hydroxy-N-phenylpiperidine-1-carboxamide
CID 114510061
2-[4-[(4-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 61422145
N-[3-(aminomethyl)phenyl]-4-ethylpiperidine-1-carboxamide
CID 61421947
N-pyridin-4-yl-4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]piperidine-1-carboxamide
CID 155902513

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylphenyl)sulfonylmethyl]-N-pyridin-4-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[(2-methylphenyl)sulfonylmethyl]-N-pyridin-4-ylpiperidine-1-carboxamide (CID 122430799) is 4-[(2-methylphenyl)sulfonylmethyl]-N-pyridin-4-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(2-methylphenyl)sulfonylmethyl]-N-pyridin-4-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(2-methylphenyl)sulfonylmethyl]-N-pyridin-4-ylpiperidine-1-carboxamide is Cc1ccccc1S(=O)(=O)CC1CCN(C(=O)Nc2ccncc2)CC1.
What is the InChIKey of 4-[(2-methylphenyl)sulfonylmethyl]-N-pyridin-4-ylpiperidine-1-carboxamide?
The InChIKey is GPHASKKUYGLBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-15-4-2-3-5-18(15)26(24,25)14-16-8-12-22(13-9-16)19(23)21-17-6-10-20-11-7-17/h2-7,10-11,16H,8-9,12-14H2,1H3,(H,20,21,23).
What are the key properties of 4-[(2-methylphenyl)sulfonylmethyl]-N-pyridin-4-ylpiperidine-1-carboxamide?
4-[(2-methylphenyl)sulfonylmethyl]-N-pyridin-4-ylpiperidine-1-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylphenyl)sulfonylmethyl]-N-pyridin-4-ylpiperidine-1-carboxamide is sourced from PubChem (CID 122430799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).