1-(1-methylimidazol-4-yl)sulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide

C20H28N4O4S — CID 50794723

IUPAC1-(1-methylimidazol-4-yl)sulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)C2CCCN(S(=O)(=O)c3cn(C)cn3)C2)cc1
InChIInChI=1S/C20H28N4O4S/c1-15(2)28-18-8-6-16(7-9-18)11-21-20(25)17-5-4-10-24(12-17)29(26,27)19-13-23(3)14-22-19/h6-9,13-15,17H,4-5,10-12H2,1-3H3,(H,21,25)
InChIKeyOANVBSGTUBQTCU-UHFFFAOYSA-N
MW420.54 g/mol
LogP1.92
Rot. Bonds7

About 1-(1-methylimidazol-4-yl)sulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide

1-(1-methylimidazol-4-yl)sulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide (PubChem CID 50794723) has the molecular formula C20H28N4O4S and a molecular weight of 420.54 g/mol. Its IUPAC name is 1-(1-methylimidazol-4-yl)sulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-methylimidazol-4-yl)sulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
PubChem CID50794723
Molecular FormulaC20H28N4O4S
Molecular Weight420.54 g/mol
Exact Mass420.18
IUPAC Name1-(1-methylimidazol-4-yl)sulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)C2CCCN(S(=O)(=O)c3cn(C)cn3)C2)cc1
InChIInChI=1S/C20H28N4O4S/c1-15(2)28-18-8-6-16(7-9-18)11-21-20(25)17-5-4-10-24(12-17)29(26,27)19-13-23(3)14-22-19/h6-9,13-15,17H,4-5,10-12H2,1-3H3,(H,21,25)
InChIKeyOANVBSGTUBQTCU-UHFFFAOYSA-N
XLogP1.92
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-(benzenesulfonyl)-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 100659745
(3R)-N-(4-methoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 92710886
N-(4-methoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 20958655
(3S)-1-(3-phenylpropylsulfonyl)-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 92675636
1-(1-ethylindol-5-yl)sulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 20966244
(3R)-N-(2,4-dimethoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 92710882
(3R)-N-[(4-propan-2-yloxyphenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 92882182
(3R)-N-(1,3-benzodioxol-5-ylmethyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 95073498
(3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 95073497
1-(4-ethoxyphenyl)sulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 43874935
1-(4-methoxyphenyl)sulfonyl-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 53282820
1-ethylsulfonyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 132660565

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-4-yl)sulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(1-methylimidazol-4-yl)sulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide (CID 50794723) is 1-(1-methylimidazol-4-yl)sulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(1-methylimidazol-4-yl)sulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(1-methylimidazol-4-yl)sulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide is CC(C)Oc1ccc(CNC(=O)C2CCCN(S(=O)(=O)c3cn(C)cn3)C2)cc1.
What is the InChIKey of 1-(1-methylimidazol-4-yl)sulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is OANVBSGTUBQTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4S/c1-15(2)28-18-8-6-16(7-9-18)11-21-20(25)17-5-4-10-24(12-17)29(26,27)19-13-23(3)14-22-19/h6-9,13-15,17H,4-5,10-12H2,1-3H3,(H,21,25).
What are the key properties of 1-(1-methylimidazol-4-yl)sulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide?
1-(1-methylimidazol-4-yl)sulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 420.54 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-4-yl)sulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 50794723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).