N-[2-oxo-2-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]amino]ethyl]benzamide

C25H31N3O4 — CID 108550430

IUPACN-[2-oxo-2-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]amino]ethyl]benzamide
SMILESCCCc1ccc(OCC(=O)N2CCC(NC(=O)CNC(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C25H31N3O4/c1-2-6-19-9-11-22(12-10-19)32-18-24(30)28-15-13-21(14-16-28)27-23(29)17-26-25(31)20-7-4-3-5-8-20/h3-5,7-12,21H,2,6,13-18H2,1H3,(H,26,31)(H,27,29)
InChIKeyMFYCRBLHSMHDJV-UHFFFAOYSA-N
MW437.54 g/mol
LogP2.56
Rot. Bonds9

About N-[2-oxo-2-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]amino]ethyl]benzamide

N-[2-oxo-2-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]amino]ethyl]benzamide (PubChem CID 108550430) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-[2-oxo-2-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]amino]ethyl]benzamide
PubChem CID108550430
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC NameN-[2-oxo-2-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]amino]ethyl]benzamide
SMILESCCCc1ccc(OCC(=O)N2CCC(NC(=O)CNC(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C25H31N3O4/c1-2-6-19-9-11-22(12-10-19)32-18-24(30)28-15-13-21(14-16-28)27-23(29)17-26-25(31)20-7-4-3-5-8-20/h3-5,7-12,21H,2,6,13-18H2,1H3,(H,26,31)(H,27,29)
InChIKeyMFYCRBLHSMHDJV-UHFFFAOYSA-N
XLogP2.56
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-phenylpropanoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide
CID 108553098
4-oxo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pentanamide
CID 108558056
2-(2-methoxyphenoxy)-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108556685
2-(2-ethylphenoxy)-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108557069
methyl N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamate
CID 108565166
N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 108548465
N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide
CID 108557843
N-[2-[4-[[2-(4-methoxyphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 108549855
[3-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108548532
5-bromo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]furan-2-carboxamide
CID 108551728
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2-phenylacetamide
CID 108551305
N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]thiophene-2-carboxamide
CID 108555909

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]amino]ethyl]benzamide?
The IUPAC name of N-[2-oxo-2-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]amino]ethyl]benzamide (CID 108550430) is N-[2-oxo-2-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]amino]ethyl]benzamide.
What is the SMILES notation for N-[2-oxo-2-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]amino]ethyl]benzamide?
The canonical SMILES for N-[2-oxo-2-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]amino]ethyl]benzamide is CCCc1ccc(OCC(=O)N2CCC(NC(=O)CNC(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of N-[2-oxo-2-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]amino]ethyl]benzamide?
The InChIKey is MFYCRBLHSMHDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-2-6-19-9-11-22(12-10-19)32-18-24(30)28-15-13-21(14-16-28)27-23(29)17-26-25(31)20-7-4-3-5-8-20/h3-5,7-12,21H,2,6,13-18H2,1H3,(H,26,31)(H,27,29).
What are the key properties of N-[2-oxo-2-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]amino]ethyl]benzamide?
N-[2-oxo-2-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]amino]ethyl]benzamide has a molecular weight of 437.54 g/mol, XLogP of 2.56, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]amino]ethyl]benzamide is sourced from PubChem (CID 108550430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).