N-(2-methylsulfonylethyl)-4-propylpiperidine-4-carboxamide

C12H24N2O3S — CID 55177593

IUPACN-(2-methylsulfonylethyl)-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)NCCS(C)(=O)=O)CCNCC1
InChIInChI=1S/C12H24N2O3S/c1-3-4-12(5-7-13-8-6-12)11(15)14-9-10-18(2,16)17/h13H,3-10H2,1-2H3,(H,14,15)
InChIKeyWIYDVSCQYUNRLV-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.32
Rot. Bonds6

About N-(2-methylsulfonylethyl)-4-propylpiperidine-4-carboxamide

N-(2-methylsulfonylethyl)-4-propylpiperidine-4-carboxamide (PubChem CID 55177593) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-4-propylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-4-propylpiperidine-4-carboxamide
PubChem CID55177593
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-(2-methylsulfonylethyl)-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)NCCS(C)(=O)=O)CCNCC1
InChIInChI=1S/C12H24N2O3S/c1-3-4-12(5-7-13-8-6-12)11(15)14-9-10-18(2,16)17/h13H,3-10H2,1-2H3,(H,14,15)
InChIKeyWIYDVSCQYUNRLV-UHFFFAOYSA-N
XLogP0.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-4-propylpiperidine-4-carboxamide
CID 63128598
N-[2-[ethyl(methyl)amino]ethyl]-4-propylpiperidine-4-carboxamide
CID 55176449
N-[2-oxo-2-(propylamino)ethyl]-4-propylpiperidine-4-carboxamide
CID 63127591
3-ethyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide
CID 63131031
N-(cyanomethyl)-4-propylpiperidine-4-carboxamide
CID 63129150
N-(2-methylbutyl)-4-propylpiperidine-4-carboxamide
CID 63129494
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-propylpiperidine-4-carboxamide
CID 63129598
N-(2-phenoxyethyl)-4-propylpiperidine-4-carboxamide
CID 63129005
4-methyl-N-(3-methylsulfonylpropyl)piperidine-4-carboxamide
CID 63122628
N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-propylpiperidine-4-carboxamide
CID 106276461
N-[[1-(dimethylamino)cyclopentyl]methyl]-4-propylpiperidine-4-carboxamide
CID 83112493
N-(2-piperazin-1-ylethyl)-1-propylcyclopropane-1-carboxamide;hydrochloride
CID 119448203

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)-4-propylpiperidine-4-carboxamide?
The IUPAC name of N-(2-methylsulfonylethyl)-4-propylpiperidine-4-carboxamide (CID 55177593) is N-(2-methylsulfonylethyl)-4-propylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-methylsulfonylethyl)-4-propylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-methylsulfonylethyl)-4-propylpiperidine-4-carboxamide is CCCC1(C(=O)NCCS(C)(=O)=O)CCNCC1.
What is the InChIKey of N-(2-methylsulfonylethyl)-4-propylpiperidine-4-carboxamide?
The InChIKey is WIYDVSCQYUNRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-3-4-12(5-7-13-8-6-12)11(15)14-9-10-18(2,16)17/h13H,3-10H2,1-2H3,(H,14,15).
What are the key properties of N-(2-methylsulfonylethyl)-4-propylpiperidine-4-carboxamide?
N-(2-methylsulfonylethyl)-4-propylpiperidine-4-carboxamide has a molecular weight of 276.40 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)-4-propylpiperidine-4-carboxamide is sourced from PubChem (CID 55177593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).