N-ethyl-1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide

C17H26N2O2S — CID 56785604

IUPACN-ethyl-1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
SMILESCCNC(=O)C1CCCN(Cc2ccc(SC)c(OC)c2)C1
InChIInChI=1S/C17H26N2O2S/c1-4-18-17(20)14-6-5-9-19(12-14)11-13-7-8-16(22-3)15(10-13)21-2/h7-8,10,14H,4-6,9,11-12H2,1-3H3,(H,18,20)
InChIKeyWLOGOJVADXXFTN-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.77
Rot. Bonds6

About N-ethyl-1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide

N-ethyl-1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 56785604) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is N-ethyl-1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
PubChem CID56785604
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC NameN-ethyl-1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
SMILESCCNC(=O)C1CCCN(Cc2ccc(SC)c(OC)c2)C1
InChIInChI=1S/C17H26N2O2S/c1-4-18-17(20)14-6-5-9-19(12-14)11-13-7-8-16(22-3)15(10-13)21-2/h7-8,10,14H,4-6,9,11-12H2,1-3H3,(H,18,20)
InChIKeyWLOGOJVADXXFTN-UHFFFAOYSA-N
XLogP2.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-ol
CID 111111498
N-[(3R)-1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide
CID 95249651
N-[1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide
CID 56785606
N-(2-aminoethyl)-1-[(3-methoxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 120837238
N-[3-(3,4-dimethoxyphenyl)propyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 46765225
1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide
CID 6456310
(3S)-1-[[4-(3-chloropropoxy)-3-methoxyphenyl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 100625628
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]ethanone
CID 63845792
[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 3409928
[(3S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 756481
(3S)-1-[(4-chlorophenyl)methyl]-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 100777606
(3R)-N,N-diethyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 40501214

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-ethyl-1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide (CID 56785604) is N-ethyl-1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide is CCNC(=O)C1CCCN(Cc2ccc(SC)c(OC)c2)C1.
What is the InChIKey of N-ethyl-1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is WLOGOJVADXXFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-4-18-17(20)14-6-5-9-19(12-14)11-13-7-8-16(22-3)15(10-13)21-2/h7-8,10,14H,4-6,9,11-12H2,1-3H3,(H,18,20).
What are the key properties of N-ethyl-1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide?
N-ethyl-1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 322.47 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 56785604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).