N-[2-[4-[[2-(4-methoxyphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]benzamide

C23H27N3O4 — CID 108549855

IUPACN-[2-[4-[[2-(4-methoxyphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]benzamide
SMILESCOc1ccc(CC(=O)NC2CCN(C(=O)CNC(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C23H27N3O4/c1-30-20-9-7-17(8-10-20)15-21(27)25-19-11-13-26(14-12-19)22(28)16-24-23(29)18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3,(H,24,29)(H,25,27)
InChIKeyRCKOJERJAOCBMO-UHFFFAOYSA-N
MW409.49 g/mol
LogP1.77
Rot. Bonds7

About N-[2-[4-[[2-(4-methoxyphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]benzamide

N-[2-[4-[[2-(4-methoxyphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 108549855) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[2-[4-[[2-(4-methoxyphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-[[2-(4-methoxyphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]benzamide
PubChem CID108549855
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC NameN-[2-[4-[[2-(4-methoxyphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]benzamide
SMILESCOc1ccc(CC(=O)NC2CCN(C(=O)CNC(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C23H27N3O4/c1-30-20-9-7-17(8-10-20)15-21(27)25-19-11-13-26(14-12-19)22(28)16-24-23(29)18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3,(H,24,29)(H,25,27)
InChIKeyRCKOJERJAOCBMO-UHFFFAOYSA-N
XLogP1.77
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
CID 108549864
methyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate
CID 110821590
4-methoxy-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide
CID 108548897
N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551232
N-[2-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 95301942
2-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 113083190
N-[2-oxo-2-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]amino]ethyl]benzamide
CID 108550430
ethyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate
CID 47932223
4-benzamido-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 127163757
2-(4-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 110712460
N-[2-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108550402

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[2-(4-methoxyphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[4-[[2-(4-methoxyphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]benzamide (CID 108549855) is N-[2-[4-[[2-(4-methoxyphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[4-[[2-(4-methoxyphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[4-[[2-(4-methoxyphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]benzamide is COc1ccc(CC(=O)NC2CCN(C(=O)CNC(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of N-[2-[4-[[2-(4-methoxyphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is RCKOJERJAOCBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-30-20-9-7-17(8-10-20)15-21(27)25-19-11-13-26(14-12-19)22(28)16-24-23(29)18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3,(H,24,29)(H,25,27).
What are the key properties of N-[2-[4-[[2-(4-methoxyphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]benzamide?
N-[2-[4-[[2-(4-methoxyphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 409.49 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[2-(4-methoxyphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 108549855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).