N-[2-[benzyl(methyl)amino]ethyl]-1-propylsulfonylpiperidine-4-carboxamide

C19H31N3O3S — CID 3236854

IUPACN-[2-[benzyl(methyl)amino]ethyl]-1-propylsulfonylpiperidine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1
InChIInChI=1S/C19H31N3O3S/c1-3-15-26(24,25)22-12-9-18(10-13-22)19(23)20-11-14-21(2)16-17-7-5-4-6-8-17/h4-8,18H,3,9-16H2,1-2H3,(H,20,23)
InChIKeyGUYIKISCOSPTMC-UHFFFAOYSA-N
MW381.54 g/mol
LogP1.69
Rot. Bonds9

About N-[2-[benzyl(methyl)amino]ethyl]-1-propylsulfonylpiperidine-4-carboxamide

N-[2-[benzyl(methyl)amino]ethyl]-1-propylsulfonylpiperidine-4-carboxamide (PubChem CID 3236854) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is N-[2-[benzyl(methyl)amino]ethyl]-1-propylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[benzyl(methyl)amino]ethyl]-1-propylsulfonylpiperidine-4-carboxamide
PubChem CID3236854
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC NameN-[2-[benzyl(methyl)amino]ethyl]-1-propylsulfonylpiperidine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1
InChIInChI=1S/C19H31N3O3S/c1-3-15-26(24,25)22-12-9-18(10-13-22)19(23)20-11-14-21(2)16-17-7-5-4-6-8-17/h4-8,18H,3,9-16H2,1-2H3,(H,20,23)
InChIKeyGUYIKISCOSPTMC-UHFFFAOYSA-N
XLogP1.69
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(methyl)amino]ethyl]-1-propylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-[benzyl(methyl)amino]ethyl]-1-propylsulfonylpiperidine-4-carboxamide (CID 3236854) is N-[2-[benzyl(methyl)amino]ethyl]-1-propylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-[benzyl(methyl)amino]ethyl]-1-propylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-[benzyl(methyl)amino]ethyl]-1-propylsulfonylpiperidine-4-carboxamide is CCCS(=O)(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1.
What is the InChIKey of N-[2-[benzyl(methyl)amino]ethyl]-1-propylsulfonylpiperidine-4-carboxamide?
The InChIKey is GUYIKISCOSPTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-3-15-26(24,25)22-12-9-18(10-13-22)19(23)20-11-14-21(2)16-17-7-5-4-6-8-17/h4-8,18H,3,9-16H2,1-2H3,(H,20,23).
What are the key properties of N-[2-[benzyl(methyl)amino]ethyl]-1-propylsulfonylpiperidine-4-carboxamide?
N-[2-[benzyl(methyl)amino]ethyl]-1-propylsulfonylpiperidine-4-carboxamide has a molecular weight of 381.54 g/mol, XLogP of 1.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(methyl)amino]ethyl]-1-propylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3236854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).