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

C16H24N2OS — CID 119318070

IUPACN-[1-(4-ethylsulfanylphenyl)ethyl]piperidine-3-carboxamide
SMILESCCSc1ccc(C(C)NC(=O)C2CCCNC2)cc1
InChIInChI=1S/C16H24N2OS/c1-3-20-15-8-6-13(7-9-15)12(2)18-16(19)14-5-4-10-17-11-14/h6-9,12,14,17H,3-5,10-11H2,1-2H3,(H,18,19)
InChIKeyGGPUUZBURXMBIJ-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.98
Rot. Bonds5

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

N-[1-(4-ethylsulfanylphenyl)ethyl]piperidine-3-carboxamide (PubChem CID 119318070) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-[1-(4-ethylsulfanylphenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethylsulfanylphenyl)ethyl]piperidine-3-carboxamide
PubChem CID119318070
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-[1-(4-ethylsulfanylphenyl)ethyl]piperidine-3-carboxamide
SMILESCCSc1ccc(C(C)NC(=O)C2CCCNC2)cc1
InChIInChI=1S/C16H24N2OS/c1-3-20-15-8-6-13(7-9-15)12(2)18-16(19)14-5-4-10-17-11-14/h6-9,12,14,17H,3-5,10-11H2,1-2H3,(H,18,19)
InChIKeyGGPUUZBURXMBIJ-UHFFFAOYSA-N
XLogP2.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119269407
(3R)-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81355974
(3R)-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 81139962
(3S)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139439
(3R)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139607
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
N-[1-(4-ethylsulfanylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 119318058
(3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]piperidine-3-carboxamide
CID 81118919
N-[1-(4-phenoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119313460
N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119288571
(3R)-N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81128625
N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 54913857

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylsulfanylphenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of N-[1-(4-ethylsulfanylphenyl)ethyl]piperidine-3-carboxamide (CID 119318070) is N-[1-(4-ethylsulfanylphenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-ethylsulfanylphenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for N-[1-(4-ethylsulfanylphenyl)ethyl]piperidine-3-carboxamide is CCSc1ccc(C(C)NC(=O)C2CCCNC2)cc1.
What is the InChIKey of N-[1-(4-ethylsulfanylphenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is GGPUUZBURXMBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-3-20-15-8-6-13(7-9-15)12(2)18-16(19)14-5-4-10-17-11-14/h6-9,12,14,17H,3-5,10-11H2,1-2H3,(H,18,19).
What are the key properties of N-[1-(4-ethylsulfanylphenyl)ethyl]piperidine-3-carboxamide?
N-[1-(4-ethylsulfanylphenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 292.45 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylsulfanylphenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 119318070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).