N-[3-(ethylaminomethyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide

C16H25N3O3S — CID 119438350

IUPACN-[3-(ethylaminomethyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCCNCc1cccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C16H25N3O3S/c1-3-17-12-13-5-4-6-15(11-13)18-16(20)14-7-9-19(10-8-14)23(2,21)22/h4-6,11,14,17H,3,7-10,12H2,1-2H3,(H,18,20)
InChIKeyWKKDTKOILSDSKH-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.41
Rot. Bonds6

About N-[3-(ethylaminomethyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[3-(ethylaminomethyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 119438350) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[3-(ethylaminomethyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(ethylaminomethyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID119438350
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[3-(ethylaminomethyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCCNCc1cccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C16H25N3O3S/c1-3-17-12-13-5-4-6-15(11-13)18-16(20)14-7-9-19(10-8-14)23(2,21)22/h4-6,11,14,17H,3,7-10,12H2,1-2H3,(H,18,20)
InChIKeyWKKDTKOILSDSKH-UHFFFAOYSA-N
XLogP1.41
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(ethylaminomethyl)phenyl]-1-methylpiperidine-4-carboxamide;dihydrochloride
CID 119438632
N-(3-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 17453629
N-[3-(ethylaminomethyl)phenyl]oxane-4-carboxamide
CID 43601115
N-[3-(methanesulfonamidomethyl)phenyl]cyclopropanecarboxamide
CID 47134978
N-[3-[(ethylsulfonylamino)methyl]phenyl]cyclopropanecarboxamide
CID 47371741
1-acetyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide
CID 119438060
N-[3-(propylaminomethyl)phenyl]oxane-4-carboxamide
CID 106910686
N-[(3-chlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 24603278
1-(benzenesulfonyl)-N-[3-(diethylaminomethyl)phenyl]piperidine-4-carboxamide
CID 43073815
1-benzyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119438547
N-(3-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810884
N-[(3-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 5123401

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylaminomethyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(ethylaminomethyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 119438350) is N-[3-(ethylaminomethyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(ethylaminomethyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(ethylaminomethyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide is CCNCc1cccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c1.
What is the InChIKey of N-[3-(ethylaminomethyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is WKKDTKOILSDSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-3-17-12-13-5-4-6-15(11-13)18-16(20)14-7-9-19(10-8-14)23(2,21)22/h4-6,11,14,17H,3,7-10,12H2,1-2H3,(H,18,20).
What are the key properties of N-[3-(ethylaminomethyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[3-(ethylaminomethyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylaminomethyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 119438350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).