N-[(4-ethoxyphenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide

C20H31N3O4S — CID 3445741

IUPACN-[(4-ethoxyphenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESCCOc1ccc(CNC(=O)C2CCN(S(=O)(=O)N3CCCCC3)CC2)cc1
InChIInChI=1S/C20H31N3O4S/c1-2-27-19-8-6-17(7-9-19)16-21-20(24)18-10-14-23(15-11-18)28(25,26)22-12-4-3-5-13-22/h6-9,18H,2-5,10-16H2,1H3,(H,21,24)
InChIKeyCOIGLMQVIVJUIJ-UHFFFAOYSA-N
MW409.55 g/mol
LogP2.14
Rot. Bonds7

About N-[(4-ethoxyphenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide

N-[(4-ethoxyphenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3445741) has the molecular formula C20H31N3O4S and a molecular weight of 409.55 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
PubChem CID3445741
Molecular FormulaC20H31N3O4S
Molecular Weight409.55 g/mol
Exact Mass409.20
IUPAC NameN-[(4-ethoxyphenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESCCOc1ccc(CNC(=O)C2CCN(S(=O)(=O)N3CCCCC3)CC2)cc1
InChIInChI=1S/C20H31N3O4S/c1-2-27-19-8-6-17(7-9-19)16-21-20(24)18-10-14-23(15-11-18)28(25,26)22-12-4-3-5-13-22/h6-9,18H,2-5,10-16H2,1H3,(H,21,24)
InChIKeyCOIGLMQVIVJUIJ-UHFFFAOYSA-N
XLogP2.14
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyphenyl)sulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 43874935
N-[(4-ethoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133168008
4-[(4-ethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672579
N-[(4-ethoxyphenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 133168231
N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46774662
1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 92506301
N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 94693526
N-[2-(4-ethoxyphenyl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 20911420
1-(4-ethoxyphenyl)sulfonyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 16572122
N-[(4-ethoxy-3-fluorophenyl)methyl]-1-sulfamoylpiperidine-4-carboxamide
CID 136524107
N-[(4-ethoxyphenyl)methyl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 46774651
1-ethylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 35614544

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide (CID 3445741) is N-[(4-ethoxyphenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide is CCOc1ccc(CNC(=O)C2CCN(S(=O)(=O)N3CCCCC3)CC2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is COIGLMQVIVJUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4S/c1-2-27-19-8-6-17(7-9-19)16-21-20(24)18-10-14-23(15-11-18)28(25,26)22-12-4-3-5-13-22/h6-9,18H,2-5,10-16H2,1H3,(H,21,24).
What are the key properties of N-[(4-ethoxyphenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide?
N-[(4-ethoxyphenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 409.55 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3445741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).