3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-N-(3-methoxy-5-methylphenyl)propanamide

C24H31FN2O3 — CID 90076026

IUPAC3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-N-(3-methoxy-5-methylphenyl)propanamide
SMILESCOc1cc(C)cc(NC(=O)CCC2CCCN(Cc3ccc(F)c(OC)c3)C2)c1
InChIInChI=1S/C24H31FN2O3/c1-17-11-20(14-21(12-17)29-2)26-24(28)9-7-18-5-4-10-27(15-18)16-19-6-8-22(25)23(13-19)30-3/h6,8,11-14,18H,4-5,7,9-10,15-16H2,1-3H3,(H,26,28)
InChIKeyUFYBTWMPFTXVMG-UHFFFAOYSA-N
MW414.52 g/mol
LogP4.78
Rot. Bonds8

About 3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-N-(3-methoxy-5-methylphenyl)propanamide

3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-N-(3-methoxy-5-methylphenyl)propanamide (PubChem CID 90076026) has the molecular formula C24H31FN2O3 and a molecular weight of 414.52 g/mol. Its IUPAC name is 3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-N-(3-methoxy-5-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-N-(3-methoxy-5-methylphenyl)propanamide
PubChem CID90076026
Molecular FormulaC24H31FN2O3
Molecular Weight414.52 g/mol
Exact Mass414.23
IUPAC Name3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-N-(3-methoxy-5-methylphenyl)propanamide
SMILESCOc1cc(C)cc(NC(=O)CCC2CCCN(Cc3ccc(F)c(OC)c3)C2)c1
InChIInChI=1S/C24H31FN2O3/c1-17-11-20(14-21(12-17)29-2)26-24(28)9-7-18-5-4-10-27(15-18)16-19-6-8-22(25)23(13-19)30-3/h6,8,11-14,18H,4-5,7,9-10,15-16H2,1-3H3,(H,26,28)
InChIKeyUFYBTWMPFTXVMG-UHFFFAOYSA-N
XLogP4.78
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.52
LogP ≤ 54.78
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-3-yl]-N-(3-methoxy-5-methylphenyl)propanamide?
The IUPAC name of 3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-N-(3-methoxy-5-methylphenyl)propanamide (CID 90076026) is 3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-N-(3-methoxy-5-methylphenyl)propanamide.
What is the SMILES notation for 3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-N-(3-methoxy-5-methylphenyl)propanamide?
The canonical SMILES for 3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-N-(3-methoxy-5-methylphenyl)propanamide is COc1cc(C)cc(NC(=O)CCC2CCCN(Cc3ccc(F)c(OC)c3)C2)c1.
What is the InChIKey of 3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-N-(3-methoxy-5-methylphenyl)propanamide?
The InChIKey is UFYBTWMPFTXVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O3/c1-17-11-20(14-21(12-17)29-2)26-24(28)9-7-18-5-4-10-27(15-18)16-19-6-8-22(25)23(13-19)30-3/h6,8,11-14,18H,4-5,7,9-10,15-16H2,1-3H3,(H,26,28).
What are the key properties of 3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-N-(3-methoxy-5-methylphenyl)propanamide?
3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-N-(3-methoxy-5-methylphenyl)propanamide has a molecular weight of 414.52 g/mol, XLogP of 4.78, 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-3-yl]-N-(3-methoxy-5-methylphenyl)propanamide is sourced from PubChem (CID 90076026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).