N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(pyridin-3-ylmethylsulfanyl)acetamide

C20H23F2N3OS — CID 55981043

IUPACN-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1cccnc1)NC1CCN(Cc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C20H23F2N3OS/c21-18-4-3-15(10-19(18)22)12-25-8-5-17(6-9-25)24-20(26)14-27-13-16-2-1-7-23-11-16/h1-4,7,10-11,17H,5-6,8-9,12-14H2,(H,24,26)
InChIKeyAFEGSYQPHAPGGX-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.37
Rot. Bonds7

About N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(pyridin-3-ylmethylsulfanyl)acetamide

N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(pyridin-3-ylmethylsulfanyl)acetamide (PubChem CID 55981043) has the molecular formula C20H23F2N3OS and a molecular weight of 391.49 g/mol. Its IUPAC name is N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(pyridin-3-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
PubChem CID55981043
Molecular FormulaC20H23F2N3OS
Molecular Weight391.49 g/mol
Exact Mass391.15
IUPAC NameN-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1cccnc1)NC1CCN(Cc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C20H23F2N3OS/c21-18-4-3-15(10-19(18)22)12-25-8-5-17(6-9-25)24-20(26)14-27-13-16-2-1-7-23-11-16/h1-4,7,10-11,17H,5-6,8-9,12-14H2,(H,24,26)
InChIKeyAFEGSYQPHAPGGX-UHFFFAOYSA-N
XLogP3.37
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(pyridin-3-ylmethylsulfanyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 91774888
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(2-methylsulfanylphenyl)urea
CID 87009051
N-[(1S,2R)-2-methylcyclopropyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 95702546
N-[(1R,2R)-2-methylcyclopropyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 95702548
1-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 119857361
3-(2-bromophenyl)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]propanamide
CID 55949551
N-[3-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]furan-2-carboxamide
CID 55836827
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-pyridin-3-ylurea
CID 55819274
N',N'-diethyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butanediamide
CID 154795042
2-(2-benzylphenoxy)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetamide
CID 55949666
2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide
CID 119946714
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 118783776

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
The IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(pyridin-3-ylmethylsulfanyl)acetamide (CID 55981043) is N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(pyridin-3-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(pyridin-3-ylmethylsulfanyl)acetamide is O=C(CSCc1cccnc1)NC1CCN(Cc2ccc(F)c(F)c2)CC1.
What is the InChIKey of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
The InChIKey is AFEGSYQPHAPGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3OS/c21-18-4-3-15(10-19(18)22)12-25-8-5-17(6-9-25)24-20(26)14-27-13-16-2-1-7-23-11-16/h1-4,7,10-11,17H,5-6,8-9,12-14H2,(H,24,26).
What are the key properties of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(pyridin-3-ylmethylsulfanyl)acetamide has a molecular weight of 391.49 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(pyridin-3-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 55981043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).