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

C23H29FN2O3 — CID 42526438

IUPAC3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCC2CCN(Cc3ccc(F)c(OC)c3)CC2)c1
InChIInChI=1S/C23H29FN2O3/c1-28-20-5-3-4-19(15-20)25-23(27)9-7-17-10-12-26(13-11-17)16-18-6-8-21(24)22(14-18)29-2/h3-6,8,14-15,17H,7,9-13,16H2,1-2H3,(H,25,27)
InChIKeyIZVFWLFIBAACOM-UHFFFAOYSA-N
MW400.49 g/mol
LogP4.47
Rot. Bonds8

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

3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide (PubChem CID 42526438) has the molecular formula C23H29FN2O3 and a molecular weight of 400.49 g/mol. Its IUPAC name is 3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide
PubChem CID42526438
Molecular FormulaC23H29FN2O3
Molecular Weight400.49 g/mol
Exact Mass400.22
IUPAC Name3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCC2CCN(Cc3ccc(F)c(OC)c3)CC2)c1
InChIInChI=1S/C23H29FN2O3/c1-28-20-5-3-4-19(15-20)25-23(27)9-7-17-10-12-26(13-11-17)16-18-6-8-21(24)22(14-18)29-2/h3-6,8,14-15,17H,7,9-13,16H2,1-2H3,(H,25,27)
InChIKeyIZVFWLFIBAACOM-UHFFFAOYSA-N
XLogP4.47
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide?
The IUPAC name of 3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide (CID 42526438) is 3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for 3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)CCC2CCN(Cc3ccc(F)c(OC)c3)CC2)c1.
What is the InChIKey of 3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide?
The InChIKey is IZVFWLFIBAACOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O3/c1-28-20-5-3-4-19(15-20)25-23(27)9-7-17-10-12-26(13-11-17)16-18-6-8-21(24)22(14-18)29-2/h3-6,8,14-15,17H,7,9-13,16H2,1-2H3,(H,25,27).
What are the key properties of 3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide?
3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide has a molecular weight of 400.49 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 42526438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).