2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(1-phenylethyl)benzamide

C28H31N3O3 — CID 46037468

IUPAC2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccccc1N1CCC(NC(=O)COc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C28H31N3O3/c1-21(22-10-4-2-5-11-22)29-28(33)25-14-8-9-15-26(25)31-18-16-23(17-19-31)30-27(32)20-34-24-12-6-3-7-13-24/h2-15,21,23H,16-20H2,1H3,(H,29,33)(H,30,32)
InChIKeyBMRKJZIHZCIFPG-UHFFFAOYSA-N
MW457.57 g/mol
LogP4.34
Rot. Bonds8

About 2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(1-phenylethyl)benzamide

2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(1-phenylethyl)benzamide (PubChem CID 46037468) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is 2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(1-phenylethyl)benzamide
PubChem CID46037468
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC Name2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccccc1N1CCC(NC(=O)COc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C28H31N3O3/c1-21(22-10-4-2-5-11-22)29-28(33)25-14-8-9-15-26(25)31-18-16-23(17-19-31)30-27(32)20-34-24-12-6-3-7-13-24/h2-15,21,23H,16-20H2,1H3,(H,29,33)(H,30,32)
InChIKeyBMRKJZIHZCIFPG-UHFFFAOYSA-N
XLogP4.34
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.57
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzamidopiperidin-1-yl)-N-[(1R)-1-phenylethyl]benzamide
CID 93290973
2-[4-[[(2S)-2-phenylbutanoyl]amino]piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide
CID 93291002
2-[4-(tert-butylcarbamoylamino)piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide
CID 93324345
3,4-dimethoxy-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide
CID 93290995
3,5-difluoro-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide
CID 93324204
N-methyl-N-(1-methylpiperidin-4-yl)-2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]benzamide
CID 42848309
N-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-2-phenoxyacetamide
CID 46038010
2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide
CID 93324162
2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 46037614
N-benzyl-2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-methylbenzamide
CID 46038163
2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-(2-piperidin-1-ylethyl)benzamide
CID 46037780
2-(4-benzamidopiperidin-1-yl)-N-butan-2-ylbenzamide
CID 46037432

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(1-phenylethyl)benzamide?
The IUPAC name of 2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(1-phenylethyl)benzamide (CID 46037468) is 2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(1-phenylethyl)benzamide is CC(NC(=O)c1ccccc1N1CCC(NC(=O)COc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(1-phenylethyl)benzamide?
The InChIKey is BMRKJZIHZCIFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3/c1-21(22-10-4-2-5-11-22)29-28(33)25-14-8-9-15-26(25)31-18-16-23(17-19-31)30-27(32)20-34-24-12-6-3-7-13-24/h2-15,21,23H,16-20H2,1H3,(H,29,33)(H,30,32).
What are the key properties of 2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(1-phenylethyl)benzamide?
2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(1-phenylethyl)benzamide has a molecular weight of 457.57 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 46037468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).