N-[3-oxo-3-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)propyl]benzamide

C29H33N3O2 — CID 73345882

IUPACN-[3-oxo-3-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)propyl]benzamide
SMILESO=C(NCCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C29H33N3O2/c33-28(16-20-30-29(34)25-12-6-2-7-13-25)32(26-14-8-3-9-15-26)27-18-22-31(23-19-27)21-17-24-10-4-1-5-11-24/h1-15,27H,16-23H2,(H,30,34)
InChIKeyHPHFJEIBAYXGJV-UHFFFAOYSA-N
MW455.60 g/mol
LogP4.55
Rot. Bonds9

About N-[3-oxo-3-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)propyl]benzamide

N-[3-oxo-3-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)propyl]benzamide (PubChem CID 73345882) has the molecular formula C29H33N3O2 and a molecular weight of 455.60 g/mol. Its IUPAC name is N-[3-oxo-3-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)propyl]benzamide.

Molecular Properties

Compound NameN-[3-oxo-3-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)propyl]benzamide
PubChem CID73345882
Molecular FormulaC29H33N3O2
Molecular Weight455.60 g/mol
Exact Mass455.26
IUPAC NameN-[3-oxo-3-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)propyl]benzamide
SMILESO=C(NCCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C29H33N3O2/c33-28(16-20-30-29(34)25-12-6-2-7-13-25)32(26-14-8-3-9-15-26)27-18-22-31(23-19-27)21-17-24-10-4-1-5-11-24/h1-15,27H,16-23H2,(H,30,34)
InChIKeyHPHFJEIBAYXGJV-UHFFFAOYSA-N
XLogP4.55
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)propyl]benzamide?
The IUPAC name of N-[3-oxo-3-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)propyl]benzamide (CID 73345882) is N-[3-oxo-3-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)propyl]benzamide.
What is the SMILES notation for N-[3-oxo-3-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)propyl]benzamide?
The canonical SMILES for N-[3-oxo-3-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)propyl]benzamide is O=C(NCCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[3-oxo-3-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)propyl]benzamide?
The InChIKey is HPHFJEIBAYXGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O2/c33-28(16-20-30-29(34)25-12-6-2-7-13-25)32(26-14-8-3-9-15-26)27-18-22-31(23-19-27)21-17-24-10-4-1-5-11-24/h1-15,27H,16-23H2,(H,30,34).
What are the key properties of N-[3-oxo-3-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)propyl]benzamide?
N-[3-oxo-3-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)propyl]benzamide has a molecular weight of 455.60 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)propyl]benzamide is sourced from PubChem (CID 73345882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).