N-ethyl-1-ethylsulfonyl-N-[1-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide

C19H30N2O4S — CID 75807755

IUPACN-ethyl-1-ethylsulfonyl-N-[1-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(S(=O)(=O)CC)CC1)C(C)c1cccc(OC)c1
InChIInChI=1S/C19H30N2O4S/c1-5-21(15(3)17-8-7-9-18(14-17)25-4)19(22)16-10-12-20(13-11-16)26(23,24)6-2/h7-9,14-16H,5-6,10-13H2,1-4H3
InChIKeyAXDGALHZGKGYDJ-UHFFFAOYSA-N
MW382.53 g/mol
LogP2.67
Rot. Bonds7

About N-ethyl-1-ethylsulfonyl-N-[1-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide

N-ethyl-1-ethylsulfonyl-N-[1-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 75807755) has the molecular formula C19H30N2O4S and a molecular weight of 382.53 g/mol. Its IUPAC name is N-ethyl-1-ethylsulfonyl-N-[1-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-ethylsulfonyl-N-[1-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
PubChem CID75807755
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC NameN-ethyl-1-ethylsulfonyl-N-[1-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(S(=O)(=O)CC)CC1)C(C)c1cccc(OC)c1
InChIInChI=1S/C19H30N2O4S/c1-5-21(15(3)17-8-7-9-18(14-17)25-4)19(22)16-10-12-20(13-11-16)26(23,24)6-2/h7-9,14-16H,5-6,10-13H2,1-4H3
InChIKeyAXDGALHZGKGYDJ-UHFFFAOYSA-N
XLogP2.67
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 52574182
cis-(1S,2R)-2-[ethyl-[(1R)-1-(3-methoxyphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131878
N-ethyl-3-iodo-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 55593336
2-amino-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride
CID 119295043
N-ethyl-N-[1-[4-(3-methoxyphenyl)phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119813208
3-[[ethyl-[1-(3-methoxyphenyl)ethyl]carbamoyl]amino]propanoic acid
CID 122019316
N-benzyl-N-ethyl-1-(3-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 71737574
N-ethyl-2-(3-fluorophenoxy)-N-[1-(3-methoxyphenyl)ethyl]propanamide
CID 78853259
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzamide
CID 55591908
N-butyl-N-[ethyl-[1-(3-methoxyphenyl)ethyl]sulfamoyl]butan-1-amine
CID 55905708
1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxamide
CID 110675703
N-ethyl-2,4-difluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 75807721

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-ethylsulfonyl-N-[1-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-ethyl-1-ethylsulfonyl-N-[1-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide (CID 75807755) is N-ethyl-1-ethylsulfonyl-N-[1-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-1-ethylsulfonyl-N-[1-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-1-ethylsulfonyl-N-[1-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide is CCN(C(=O)C1CCN(S(=O)(=O)CC)CC1)C(C)c1cccc(OC)c1.
What is the InChIKey of N-ethyl-1-ethylsulfonyl-N-[1-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is AXDGALHZGKGYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4S/c1-5-21(15(3)17-8-7-9-18(14-17)25-4)19(22)16-10-12-20(13-11-16)26(23,24)6-2/h7-9,14-16H,5-6,10-13H2,1-4H3.
What are the key properties of N-ethyl-1-ethylsulfonyl-N-[1-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide?
N-ethyl-1-ethylsulfonyl-N-[1-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 382.53 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-ethylsulfonyl-N-[1-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 75807755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).