N-[1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide

C17H26N2O2S — CID 56785606

IUPACN-[1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide
SMILESCCC(=O)NC1CCCN(Cc2ccc(SC)c(OC)c2)C1
InChIInChI=1S/C17H26N2O2S/c1-4-17(20)18-14-6-5-9-19(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)
InChIKeyNWNZJKOIAOSDFU-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.91
Rot. Bonds6

About N-[1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide

N-[1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide (PubChem CID 56785606) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is N-[1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide
PubChem CID56785606
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC NameN-[1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide
SMILESCCC(=O)NC1CCCN(Cc2ccc(SC)c(OC)c2)C1
InChIInChI=1S/C17H26N2O2S/c1-4-17(20)18-14-6-5-9-19(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)
InChIKeyNWNZJKOIAOSDFU-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide
CID 95249651
1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-ol
CID 111111498
N-ethyl-1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
CID 56785604
N-[1-[(4-bromophenyl)methyl]piperidin-3-yl]propanamide
CID 75927878
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]acetamide
CID 171334193
N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 25447187
N-(1-benzylpiperidin-3-yl)-2-(2,4-dimethoxyphenyl)acetamide
CID 55644626
3,3,3-trifluoro-N-[(3R)-1-[(4-hydroxy-3-methoxyphenyl)methyl]pyrrolidin-3-yl]propanamide
CID 100717220
N-[(3S)-1-[2-[(3S)-3-(propanoylamino)piperidin-1-yl]ethyl]piperidin-3-yl]propanamide
CID 96549596
N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 24791479
2-(4-ethoxyphenyl)-N-[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]acetamide
CID 125168981
N-[(3R)-1-[2-(4-tert-butylphenyl)ethyl]piperidin-3-yl]propanamide
CID 100707416

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide?
The IUPAC name of N-[1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide (CID 56785606) is N-[1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-[1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide?
The canonical SMILES for N-[1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide is CCC(=O)NC1CCCN(Cc2ccc(SC)c(OC)c2)C1.
What is the InChIKey of N-[1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide?
The InChIKey is NWNZJKOIAOSDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-4-17(20)18-14-6-5-9-19(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-[1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide?
N-[1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide has a molecular weight of 322.47 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 56785606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).