N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

C20H23N3O5S — CID 55603422

IUPACN-[1-(1,3-benzodioxol-5-yl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H23N3O5S/c1-14(16-4-5-18-19(11-16)28-13-27-18)22-20(24)15-6-9-23(10-7-15)29(25,26)17-3-2-8-21-12-17/h2-5,8,11-12,14-15H,6-7,9-10,13H2,1H3,(H,22,24)
InChIKeyHKRXQANDIPMEFX-UHFFFAOYSA-N
MW417.49 g/mol
LogP2.09
Rot. Bonds5

About N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (PubChem CID 55603422) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
PubChem CID55603422
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H23N3O5S/c1-14(16-4-5-18-19(11-16)28-13-27-18)22-20(24)15-6-9-23(10-7-15)29(25,26)17-3-2-8-21-12-17/h2-5,8,11-12,14-15H,6-7,9-10,13H2,1H3,(H,22,24)
InChIKeyHKRXQANDIPMEFX-UHFFFAOYSA-N
XLogP2.09
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-pyridin-3-ylethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43066226
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 25480504
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55501636
N-pentan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46407164
N-[(4-methylphenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43071749
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 134002034
N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 39495813
N-[(4-chlorophenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43071922
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 51939861
4-[1-(1,3-benzodioxol-5-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672858
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 55500751
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 129377016

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (CID 55603422) is N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is CC(NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is HKRXQANDIPMEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-14(16-4-5-18-19(11-16)28-13-27-18)22-20(24)15-6-9-23(10-7-15)29(25,26)17-3-2-8-21-12-17/h2-5,8,11-12,14-15H,6-7,9-10,13H2,1H3,(H,22,24).
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55603422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).