N-[[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]carbamoyl]benzamide

C23H27N3O3 — CID 12608557

IUPACN-[[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1)NC1CCN(CCCC(=O)c2ccccc2)CC1
InChIInChI=1S/C23H27N3O3/c27-21(18-8-3-1-4-9-18)12-7-15-26-16-13-20(14-17-26)24-23(29)25-22(28)19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2,(H2,24,25,28,29)
InChIKeyHOPGKMZNMVMDLU-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.25
Rot. Bonds7

About N-[[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]carbamoyl]benzamide

N-[[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]carbamoyl]benzamide (PubChem CID 12608557) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]carbamoyl]benzamide.

Molecular Properties

Compound NameN-[[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]carbamoyl]benzamide
PubChem CID12608557
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1)NC1CCN(CCCC(=O)c2ccccc2)CC1
InChIInChI=1S/C23H27N3O3/c27-21(18-8-3-1-4-9-18)12-7-15-26-16-13-20(14-17-26)24-23(29)25-22(28)19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2,(H2,24,25,28,29)
InChIKeyHOPGKMZNMVMDLU-UHFFFAOYSA-N
XLogP3.25
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]carbamoyl]benzamide?
The IUPAC name of N-[[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]carbamoyl]benzamide (CID 12608557) is N-[[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]carbamoyl]benzamide.
What is the SMILES notation for N-[[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]carbamoyl]benzamide?
The canonical SMILES for N-[[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]carbamoyl]benzamide is O=C(NC(=O)c1ccccc1)NC1CCN(CCCC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]carbamoyl]benzamide?
The InChIKey is HOPGKMZNMVMDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c27-21(18-8-3-1-4-9-18)12-7-15-26-16-13-20(14-17-26)24-23(29)25-22(28)19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2,(H2,24,25,28,29).
What are the key properties of N-[[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]carbamoyl]benzamide?
N-[[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]carbamoyl]benzamide has a molecular weight of 393.49 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]carbamoyl]benzamide is sourced from PubChem (CID 12608557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).