1-(4-ethoxyphenyl)sulfonyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide

C25H30N4O4S — CID 16572122

IUPAC1-(4-ethoxyphenyl)sulfonyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(Cn4cccn4)cc3)CC2)cc1
InChIInChI=1S/C25H30N4O4S/c1-2-33-23-8-10-24(11-9-23)34(31,32)29-16-12-22(13-17-29)25(30)26-18-20-4-6-21(7-5-20)19-28-15-3-14-27-28/h3-11,14-15,22H,2,12-13,16-19H2,1H3,(H,26,30)
InChIKeyWLWOAEHWMGMWCM-UHFFFAOYSA-N
MW482.61 g/mol
LogP3.05
Rot. Bonds9

About 1-(4-ethoxyphenyl)sulfonyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide

1-(4-ethoxyphenyl)sulfonyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 16572122) has the molecular formula C25H30N4O4S and a molecular weight of 482.61 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)sulfonyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)sulfonyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID16572122
Molecular FormulaC25H30N4O4S
Molecular Weight482.61 g/mol
Exact Mass482.20
IUPAC Name1-(4-ethoxyphenyl)sulfonyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(Cn4cccn4)cc3)CC2)cc1
InChIInChI=1S/C25H30N4O4S/c1-2-33-23-8-10-24(11-9-23)34(31,32)29-16-12-22(13-17-29)25(30)26-18-20-4-6-21(7-5-20)19-28-15-3-14-27-28/h3-11,14-15,22H,2,12-13,16-19H2,1H3,(H,26,30)
InChIKeyWLWOAEHWMGMWCM-UHFFFAOYSA-N
XLogP3.05
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3445741
4-ethoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 25403941
1-(4-ethoxyphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 31287972
1-(4-methylphenyl)sulfonyl-N-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 46590461
1-(4-ethylphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 113004556
1-(benzenesulfonyl)-N-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 94002807
1-(benzenesulfonyl)-N-[[4-(phenoxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 39508472
N-[(4-ethoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133168008
N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46774662
N-[(4-ethoxyphenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 133168231
N-(3-aminopropyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119404891

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide (CID 16572122) is 1-(4-ethoxyphenyl)sulfonyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-ethoxyphenyl)sulfonyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-ethoxyphenyl)sulfonyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide is CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(Cn4cccn4)cc3)CC2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)sulfonyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is WLWOAEHWMGMWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4S/c1-2-33-23-8-10-24(11-9-23)34(31,32)29-16-12-22(13-17-29)25(30)26-18-20-4-6-21(7-5-20)19-28-15-3-14-27-28/h3-11,14-15,22H,2,12-13,16-19H2,1H3,(H,26,30).
What are the key properties of 1-(4-ethoxyphenyl)sulfonyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide?
1-(4-ethoxyphenyl)sulfonyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 482.61 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)sulfonyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 16572122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).