N-[(4-fluorophenyl)methyl]-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide

C27H28FN3O2 — CID 46037582

IUPACN-[(4-fluorophenyl)methyl]-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide
SMILESO=C(Cc1ccccc1)NC1CCN(c2ccccc2C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C27H28FN3O2/c28-22-12-10-21(11-13-22)19-29-27(33)24-8-4-5-9-25(24)31-16-14-23(15-17-31)30-26(32)18-20-6-2-1-3-7-20/h1-13,23H,14-19H2,(H,29,33)(H,30,32)
InChIKeyMHMFICHOUUMLJQ-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.08
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide

N-[(4-fluorophenyl)methyl]-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide (PubChem CID 46037582) has the molecular formula C27H28FN3O2 and a molecular weight of 445.54 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide
PubChem CID46037582
Molecular FormulaC27H28FN3O2
Molecular Weight445.54 g/mol
Exact Mass445.22
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide
SMILESO=C(Cc1ccccc1)NC1CCN(c2ccccc2C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C27H28FN3O2/c28-22-12-10-21(11-13-22)19-29-27(33)24-8-4-5-9-25(24)31-16-14-23(15-17-31)30-26(32)18-20-6-2-1-3-7-20/h1-13,23H,14-19H2,(H,29,33)(H,30,32)
InChIKeyMHMFICHOUUMLJQ-UHFFFAOYSA-N
XLogP4.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide (CID 46037582) is N-[(4-fluorophenyl)methyl]-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide is O=C(Cc1ccccc1)NC1CCN(c2ccccc2C(=O)NCc2ccc(F)cc2)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide?
The InChIKey is MHMFICHOUUMLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O2/c28-22-12-10-21(11-13-22)19-29-27(33)24-8-4-5-9-25(24)31-16-14-23(15-17-31)30-26(32)18-20-6-2-1-3-7-20/h1-13,23H,14-19H2,(H,29,33)(H,30,32).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide?
N-[(4-fluorophenyl)methyl]-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide has a molecular weight of 445.54 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide is sourced from PubChem (CID 46037582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).