3-(3-fluoro-4-methoxyphenyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide

C24H31FN2O2 — CID 75879898

IUPAC3-(3-fluoro-4-methoxyphenyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2ccc(CN3CCCC(C)C3)cc2)cc1F
InChIInChI=1S/C24H31FN2O2/c1-18-4-3-13-27(16-18)17-21-7-5-20(6-8-21)15-26-24(28)12-10-19-9-11-23(29-2)22(25)14-19/h5-9,11,14,18H,3-4,10,12-13,15-17H2,1-2H3,(H,26,28)
InChIKeySBBHZLWZYDUAGN-UHFFFAOYSA-N
MW398.52 g/mol
LogP4.32
Rot. Bonds8

About 3-(3-fluoro-4-methoxyphenyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide

3-(3-fluoro-4-methoxyphenyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide (PubChem CID 75879898) has the molecular formula C24H31FN2O2 and a molecular weight of 398.52 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
PubChem CID75879898
Molecular FormulaC24H31FN2O2
Molecular Weight398.52 g/mol
Exact Mass398.24
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2ccc(CN3CCCC(C)C3)cc2)cc1F
InChIInChI=1S/C24H31FN2O2/c1-18-4-3-13-27(16-18)17-21-7-5-20(6-8-21)15-26-24(28)12-10-19-9-11-23(29-2)22(25)14-19/h5-9,11,14,18H,3-4,10,12-13,15-17H2,1-2H3,(H,26,28)
InChIKeySBBHZLWZYDUAGN-UHFFFAOYSA-N
XLogP4.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.52
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluorophenoxy)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 47035366
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 18083473
3-(furan-2-yl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 46470241
N-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 51275994
N-[(3,4-difluorophenyl)methyl]-3-[(3S)-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]propanamide
CID 42395779
1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol
CID 24904753
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]ethanone
CID 63845792
N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 25447187
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]acetamide
CID 171334193
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 112826529
4-amino-3-methoxy-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride
CID 120595227
N-[(4-methoxyphenyl)methyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 8903596

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide (CID 75879898) is 3-(3-fluoro-4-methoxyphenyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide is COc1ccc(CCC(=O)NCc2ccc(CN3CCCC(C)C3)cc2)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide?
The InChIKey is SBBHZLWZYDUAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O2/c1-18-4-3-13-27(16-18)17-21-7-5-20(6-8-21)15-26-24(28)12-10-19-9-11-23(29-2)22(25)14-19/h5-9,11,14,18H,3-4,10,12-13,15-17H2,1-2H3,(H,26,28).
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide?
3-(3-fluoro-4-methoxyphenyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide has a molecular weight of 398.52 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide is sourced from PubChem (CID 75879898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).