N-benzyl-N-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

C20H25N3O3S — CID 46438676

IUPACN-benzyl-N-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C20H25N3O3S/c1-2-22(16-17-7-4-3-5-8-17)20(24)18-10-13-23(14-11-18)27(25,26)19-9-6-12-21-15-19/h3-9,12,15,18H,2,10-11,13-14,16H2,1H3
InChIKeyXVBRSNPDQOGDFT-UHFFFAOYSA-N
MW387.50 g/mol
LogP2.53
Rot. Bonds6

About N-benzyl-N-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

N-benzyl-N-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (PubChem CID 46438676) has the molecular formula C20H25N3O3S and a molecular weight of 387.50 g/mol. Its IUPAC name is N-benzyl-N-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
PubChem CID46438676
Molecular FormulaC20H25N3O3S
Molecular Weight387.50 g/mol
Exact Mass387.16
IUPAC NameN-benzyl-N-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C20H25N3O3S/c1-2-22(16-17-7-4-3-5-8-17)20(24)18-10-13-23(14-11-18)27(25,26)19-9-6-12-21-15-19/h3-9,12,15,18H,2,10-11,13-14,16H2,1H3
InChIKeyXVBRSNPDQOGDFT-UHFFFAOYSA-N
XLogP2.53
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 26415263
N-benzyl-N-ethyl-1-(3-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 71737574
1-(benzenesulfonyl)-N-benzyl-N-propylpiperidine-4-carboxamide
CID 26292200
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 39947147
N-[(2-ethoxyphenyl)methyl]-N-methyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55861405
N-(cyclohexylmethyl)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46409150
1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 110686023
N-pentan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46407164
3-[1-(benzenesulfonyl)piperidin-4-yl]-N-benzyl-N-ethylpropanamide
CID 91903765
N-benzyl-N-ethyl-1-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53006309
1-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide
CID 31398646
N-benzyl-1-[(2-bromophenyl)methylsulfonyl]-N-ethylpiperidine-4-carboxamide
CID 71737584

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (CID 46438676) is N-benzyl-N-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of N-benzyl-N-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is XVBRSNPDQOGDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-2-22(16-17-7-4-3-5-8-17)20(24)18-10-13-23(14-11-18)27(25,26)19-9-6-12-21-15-19/h3-9,12,15,18H,2,10-11,13-14,16H2,1H3.
What are the key properties of N-benzyl-N-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
N-benzyl-N-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 387.50 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 46438676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).