N-[4-(4-aminopiperidin-1-yl)phenyl]-2-methyl-5-methylsulfonylbenzamide

C20H25N3O3S — CID 166314943

IUPACN-[4-(4-aminopiperidin-1-yl)phenyl]-2-methyl-5-methylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(N2CCC(N)CC2)cc1
InChIInChI=1S/C20H25N3O3S/c1-14-3-8-18(27(2,25)26)13-19(14)20(24)22-16-4-6-17(7-5-16)23-11-9-15(21)10-12-23/h3-8,13,15H,9-12,21H2,1-2H3,(H,22,24)
InChIKeyNJYQYBLWPDEUHU-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.58
Rot. Bonds4

About N-[4-(4-aminopiperidin-1-yl)phenyl]-2-methyl-5-methylsulfonylbenzamide

N-[4-(4-aminopiperidin-1-yl)phenyl]-2-methyl-5-methylsulfonylbenzamide (PubChem CID 166314943) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[4-(4-aminopiperidin-1-yl)phenyl]-2-methyl-5-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(4-aminopiperidin-1-yl)phenyl]-2-methyl-5-methylsulfonylbenzamide
PubChem CID166314943
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-[4-(4-aminopiperidin-1-yl)phenyl]-2-methyl-5-methylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(N2CCC(N)CC2)cc1
InChIInChI=1S/C20H25N3O3S/c1-14-3-8-18(27(2,25)26)13-19(14)20(24)22-16-4-6-17(7-5-16)23-11-9-15(21)10-12-23/h3-8,13,15H,9-12,21H2,1-2H3,(H,22,24)
InChIKeyNJYQYBLWPDEUHU-UHFFFAOYSA-N
XLogP2.58
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-methylsulfonylbenzamide
CID 9303240
N-[4-(cyclopropanecarbonylamino)phenyl]-2-methyl-5-methylsulfonylbenzamide
CID 25275763
2-methyl-5-methylsulfonyl-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide
CID 166181364
N-(3-chloro-4-methylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26087165
5-(tert-butylsulfamoyl)-2-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56556234
2-methyl-N-(4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 2111262
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 49202639
N-(3,4-difluorophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 9165720
N-methyl-1-[4-[(2-methyl-5-methylsulfonylbenzoyl)amino]phenyl]pyrazole-3-carboxamide
CID 166183100
N,2-dimethyl-5-methylsulfonyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 55328411
2-methyl-N-(3-methylphenyl)-5-methylsulfonylbenzamide
CID 9341567
2-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55389012

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminopiperidin-1-yl)phenyl]-2-methyl-5-methylsulfonylbenzamide?
The IUPAC name of N-[4-(4-aminopiperidin-1-yl)phenyl]-2-methyl-5-methylsulfonylbenzamide (CID 166314943) is N-[4-(4-aminopiperidin-1-yl)phenyl]-2-methyl-5-methylsulfonylbenzamide.
What is the SMILES notation for N-[4-(4-aminopiperidin-1-yl)phenyl]-2-methyl-5-methylsulfonylbenzamide?
The canonical SMILES for N-[4-(4-aminopiperidin-1-yl)phenyl]-2-methyl-5-methylsulfonylbenzamide is Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(N2CCC(N)CC2)cc1.
What is the InChIKey of N-[4-(4-aminopiperidin-1-yl)phenyl]-2-methyl-5-methylsulfonylbenzamide?
The InChIKey is NJYQYBLWPDEUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-14-3-8-18(27(2,25)26)13-19(14)20(24)22-16-4-6-17(7-5-16)23-11-9-15(21)10-12-23/h3-8,13,15H,9-12,21H2,1-2H3,(H,22,24).
What are the key properties of N-[4-(4-aminopiperidin-1-yl)phenyl]-2-methyl-5-methylsulfonylbenzamide?
N-[4-(4-aminopiperidin-1-yl)phenyl]-2-methyl-5-methylsulfonylbenzamide has a molecular weight of 387.51 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminopiperidin-1-yl)phenyl]-2-methyl-5-methylsulfonylbenzamide is sourced from PubChem (CID 166314943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).