1-(2-cyanophenyl)sulfonyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-4-carboxamide

C20H22N4O4S — CID 38092473

IUPAC1-(2-cyanophenyl)sulfonyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-4-carboxamide
SMILESCOc1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccn1
InChIInChI=1S/C20H22N4O4S/c1-28-19-12-15(6-9-22-19)14-23-20(25)16-7-10-24(11-8-16)29(26,27)18-5-3-2-4-17(18)13-21/h2-6,9,12,16H,7-8,10-11,14H2,1H3,(H,23,25)
InChIKeyHVYISNQPJIWMTE-UHFFFAOYSA-N
MW414.49 g/mol
LogP1.68
Rot. Bonds6

About 1-(2-cyanophenyl)sulfonyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-4-carboxamide

1-(2-cyanophenyl)sulfonyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-4-carboxamide (PubChem CID 38092473) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is 1-(2-cyanophenyl)sulfonyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)sulfonyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-4-carboxamide
PubChem CID38092473
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC Name1-(2-cyanophenyl)sulfonyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-4-carboxamide
SMILESCOc1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccn1
InChIInChI=1S/C20H22N4O4S/c1-28-19-12-15(6-9-22-19)14-23-20(25)16-7-10-24(11-8-16)29(26,27)18-5-3-2-4-17(18)13-21/h2-6,9,12,16H,7-8,10-11,14H2,1H3,(H,23,25)
InChIKeyHVYISNQPJIWMTE-UHFFFAOYSA-N
XLogP1.68
TPSA112.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-butoxy-3-methoxyphenyl)methyl]-1-(2-cyanophenyl)sulfonylpiperidine-4-carboxamide
CID 39970958
1-(2-cyanophenyl)sulfonyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 26928378
N-[(2-methoxy-4-pyridinyl)methyl]cyclopropanecarboxamide
CID 60715595
methyl 2-[4-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylcarbamoyl]piperidin-1-yl]sulfonylbenzoate
CID 55725962
1-(2-cyanophenyl)sulfonyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 46466984
N-[(2-methoxy-4-pyridinyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 18205211
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 31304480
1-(2-cyanophenyl)sulfonyl-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide
CID 55480317
1-(2-cyanophenyl)sulfonyl-N'-(2-naphthalen-1-ylacetyl)piperidine-4-carbohydrazide
CID 41264253
1-(4-acetylphenyl)sulfonyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide
CID 39501591
1-(2-cyanophenyl)sulfonyl-N-[3-(hydroxymethyl)phenyl]piperidine-4-carboxamide
CID 9092358
(2R)-N-[(2-methoxy-4-pyridinyl)methyl]-2-phenylazetidine-1-carboxamide
CID 94052771

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)sulfonyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-cyanophenyl)sulfonyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-4-carboxamide (CID 38092473) is 1-(2-cyanophenyl)sulfonyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-cyanophenyl)sulfonyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-cyanophenyl)sulfonyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-4-carboxamide is COc1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccn1.
What is the InChIKey of 1-(2-cyanophenyl)sulfonyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-4-carboxamide?
The InChIKey is HVYISNQPJIWMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-28-19-12-15(6-9-22-19)14-23-20(25)16-7-10-24(11-8-16)29(26,27)18-5-3-2-4-17(18)13-21/h2-6,9,12,16H,7-8,10-11,14H2,1H3,(H,23,25).
What are the key properties of 1-(2-cyanophenyl)sulfonyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-4-carboxamide?
1-(2-cyanophenyl)sulfonyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-4-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)sulfonyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 38092473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).