3-(benzenesulfonyl)-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]propanamide

C21H24N4O3S — CID 91812947

IUPAC3-(benzenesulfonyl)-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]propanamide
SMILESN#Cc1cccnc1N1CCC(CNC(=O)CCS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H24N4O3S/c22-15-18-5-4-11-23-21(18)25-12-8-17(9-13-25)16-24-20(26)10-14-29(27,28)19-6-2-1-3-7-19/h1-7,11,17H,8-10,12-14,16H2,(H,24,26)
InChIKeyPEYHNJLDPGODDT-UHFFFAOYSA-N
MW412.52 g/mol
LogP2.15
Rot. Bonds7

About 3-(benzenesulfonyl)-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]propanamide

3-(benzenesulfonyl)-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]propanamide (PubChem CID 91812947) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]propanamide
PubChem CID91812947
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name3-(benzenesulfonyl)-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]propanamide
SMILESN#Cc1cccnc1N1CCC(CNC(=O)CCS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H24N4O3S/c22-15-18-5-4-11-23-21(18)25-12-8-17(9-13-25)16-24-20(26)10-14-29(27,28)19-6-2-1-3-7-19/h1-7,11,17H,8-10,12-14,16H2,(H,24,26)
InChIKeyPEYHNJLDPGODDT-UHFFFAOYSA-N
XLogP2.15
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(benzenesulfonyl)-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]propanamide with MolForge

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Related Compounds

N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2,2-diphenylacetamide
CID 121108971
(2S)-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-phenoxypropanamide
CID 95378636
N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-ethyloxamide
CID 121107725
N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]oxamide
CID 73167597
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 121108857
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 131912368
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-(4-ethoxyphenyl)acetamide
CID 121108927
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N'-(2-fluorophenyl)oxamide
CID 121107742
2-[4-(3-cyano-2-pyridinyl)-1,4-diazepan-1-yl]-N-(cyclohexylmethyl)acetamide
CID 47541975
3-bromo-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]benzamide
CID 121108956
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide
CID 121108885
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-benzofuran-2-carboxamide
CID 72716918

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]propanamide (CID 91812947) is 3-(benzenesulfonyl)-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]propanamide is N#Cc1cccnc1N1CCC(CNC(=O)CCS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]propanamide?
The InChIKey is PEYHNJLDPGODDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c22-15-18-5-4-11-23-21(18)25-12-8-17(9-13-25)16-24-20(26)10-14-29(27,28)19-6-2-1-3-7-19/h1-7,11,17H,8-10,12-14,16H2,(H,24,26).
What are the key properties of 3-(benzenesulfonyl)-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]propanamide?
3-(benzenesulfonyl)-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]propanamide has a molecular weight of 412.52 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]propanamide is sourced from PubChem (CID 91812947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).