1-(benzenesulfonyl)-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide

C22H28N2O4S — CID 94108023

IUPAC1-(benzenesulfonyl)-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
SMILESCC(C)Oc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C22H28N2O4S/c1-17(2)28-20-8-6-7-18(15-20)16-23-22(25)19-11-13-24(14-12-19)29(26,27)21-9-4-3-5-10-21/h3-10,15,17,19H,11-14,16H2,1-2H3,(H,23,25)
InChIKeyVBDSNHKYENIEQF-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.19
Rot. Bonds7

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

1-(benzenesulfonyl)-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 94108023) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID94108023
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name1-(benzenesulfonyl)-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
SMILESCC(C)Oc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C22H28N2O4S/c1-17(2)28-20-8-6-7-18(15-20)16-23-22(25)19-11-13-24(14-12-19)29(26,27)21-9-4-3-5-10-21/h3-10,15,17,19H,11-14,16H2,1-2H3,(H,23,25)
InChIKeyVBDSNHKYENIEQF-UHFFFAOYSA-N
XLogP3.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-N-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 94002807
1-(4-methoxyphenyl)sulfonyl-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 53282820
1-(4-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 3192910
N-benzyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003936
1-[(4-fluorophenyl)methylsulfonyl]-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 38006078
1-(4-fluorophenyl)sulfonyl-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide
CID 100652484
1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 55909982
1-(benzenesulfonyl)-N-[[4-(phenoxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 39508472
(3R)-1-(benzenesulfonyl)-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 100659745
1-(benzenesulfonyl)-N-[3-(3-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 100645726
1-(benzenesulfonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 26444974
1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 28561875

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide (CID 94108023) is 1-(benzenesulfonyl)-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide is CC(C)Oc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is VBDSNHKYENIEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-17(2)28-20-8-6-7-18(15-20)16-23-22(25)19-11-13-24(14-12-19)29(26,27)21-9-4-3-5-10-21/h3-10,15,17,19H,11-14,16H2,1-2H3,(H,23,25).
What are the key properties of 1-(benzenesulfonyl)-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 416.54 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 94108023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).