2-methyl-N-[3-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]phenyl]propanamide

C28H32N2O2 — CID 16756521

IUPAC2-methyl-N-[3-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(C2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)c1
InChIInChI=1S/C28H32N2O2/c1-21(2)28(31)29-25-10-7-9-24(19-25)23-14-16-30(17-15-23)20-22-8-6-13-27(18-22)32-26-11-4-3-5-12-26/h3-13,18-19,21,23H,14-17,20H2,1-2H3,(H,29,31)
InChIKeySYTDFMKLDHALDH-UHFFFAOYSA-N
MW428.58 g/mol
LogP6.45
Rot. Bonds7

About 2-methyl-N-[3-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]phenyl]propanamide

2-methyl-N-[3-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]phenyl]propanamide (PubChem CID 16756521) has the molecular formula C28H32N2O2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 2-methyl-N-[3-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]phenyl]propanamide
PubChem CID16756521
Molecular FormulaC28H32N2O2
Molecular Weight428.58 g/mol
Exact Mass428.25
IUPAC Name2-methyl-N-[3-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(C2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)c1
InChIInChI=1S/C28H32N2O2/c1-21(2)28(31)29-25-10-7-9-24(19-25)23-14-16-30(17-15-23)20-22-8-6-13-27(18-22)32-26-11-4-3-5-12-26/h3-13,18-19,21,23H,14-17,20H2,1-2H3,(H,29,31)
InChIKeySYTDFMKLDHALDH-UHFFFAOYSA-N
XLogP6.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[3-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]phenyl]propanamide (CID 16756521) is 2-methyl-N-[3-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]phenyl]propanamide is CC(C)C(=O)Nc1cccc(C2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)c1.
What is the InChIKey of 2-methyl-N-[3-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]phenyl]propanamide?
The InChIKey is SYTDFMKLDHALDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O2/c1-21(2)28(31)29-25-10-7-9-24(19-25)23-14-16-30(17-15-23)20-22-8-6-13-27(18-22)32-26-11-4-3-5-12-26/h3-13,18-19,21,23H,14-17,20H2,1-2H3,(H,29,31).
What are the key properties of 2-methyl-N-[3-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]phenyl]propanamide?
2-methyl-N-[3-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]phenyl]propanamide has a molecular weight of 428.58 g/mol, XLogP of 6.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]phenyl]propanamide is sourced from PubChem (CID 16756521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).