4-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-4-carboxamide

C18H29N3O4S — CID 119755232

IUPAC4-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCOC1(C(=O)NCc2ccccc2CS(=O)(=O)NC(C)C)CCNCC1
InChIInChI=1S/C18H29N3O4S/c1-14(2)21-26(23,24)13-16-7-5-4-6-15(16)12-20-17(22)18(25-3)8-10-19-11-9-18/h4-7,14,19,21H,8-13H2,1-3H3,(H,20,22)
InChIKeyNFNLLVTVNYZLLJ-UHFFFAOYSA-N
MW383.51 g/mol
LogP0.90
Rot. Bonds8

About 4-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-4-carboxamide

4-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 119755232) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is 4-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID119755232
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC Name4-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCOC1(C(=O)NCc2ccccc2CS(=O)(=O)NC(C)C)CCNCC1
InChIInChI=1S/C18H29N3O4S/c1-14(2)21-26(23,24)13-16-7-5-4-6-15(16)12-20-17(22)18(25-3)8-10-19-11-9-18/h4-7,14,19,21H,8-13H2,1-3H3,(H,20,22)
InChIKeyNFNLLVTVNYZLLJ-UHFFFAOYSA-N
XLogP0.90
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(ethoxymethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119718350
2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 31945509
N-[[2-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide
CID 119700383
4-methoxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 119846798
4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119705514
4-methoxy-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 119744427
N-[(2,3-dimethoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119708895
N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119800235
3-piperidin-4-yl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]butanamide;hydrochloride
CID 119755229
(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 119307075
N-[(2,3-dimethoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119708894
4-methoxy-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 119716391

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 4-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-4-carboxamide (CID 119755232) is 4-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 4-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-4-carboxamide is COC1(C(=O)NCc2ccccc2CS(=O)(=O)NC(C)C)CCNCC1.
What is the InChIKey of 4-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is NFNLLVTVNYZLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-14(2)21-26(23,24)13-16-7-5-4-6-15(16)12-20-17(22)18(25-3)8-10-19-11-9-18/h4-7,14,19,21H,8-13H2,1-3H3,(H,20,22).
What are the key properties of 4-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-4-carboxamide?
4-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 383.51 g/mol, XLogP of 0.90, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 119755232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).