2-acetamido-N-[2-[(2R)-2-benzylpiperidin-1-yl]-2-oxoethyl]acetamide

C18H25N3O3 — CID 95286390

IUPAC2-acetamido-N-[2-[(2R)-2-benzylpiperidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)NCC(=O)N1CCCC[C@@H]1Cc1ccccc1
InChIInChI=1S/C18H25N3O3/c1-14(22)19-12-17(23)20-13-18(24)21-10-6-5-9-16(21)11-15-7-3-2-4-8-15/h2-4,7-8,16H,5-6,9-13H2,1H3,(H,19,22)(H,20,23)/t16-/m1/s1
InChIKeyATIMJXIAQOIZHF-MRXNPFEDSA-N
MW331.42 g/mol
LogP0.86
Rot. Bonds6

About 2-acetamido-N-[2-[(2R)-2-benzylpiperidin-1-yl]-2-oxoethyl]acetamide

2-acetamido-N-[2-[(2R)-2-benzylpiperidin-1-yl]-2-oxoethyl]acetamide (PubChem CID 95286390) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-acetamido-N-[2-[(2R)-2-benzylpiperidin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[2-[(2R)-2-benzylpiperidin-1-yl]-2-oxoethyl]acetamide
PubChem CID95286390
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name2-acetamido-N-[2-[(2R)-2-benzylpiperidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)NCC(=O)N1CCCC[C@@H]1Cc1ccccc1
InChIInChI=1S/C18H25N3O3/c1-14(22)19-12-17(23)20-13-18(24)21-10-6-5-9-16(21)11-15-7-3-2-4-8-15/h2-4,7-8,16H,5-6,9-13H2,1H3,(H,19,22)(H,20,23)/t16-/m1/s1
InChIKeyATIMJXIAQOIZHF-MRXNPFEDSA-N
XLogP0.86
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-[(2R)-2-benzylpiperidin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of 2-acetamido-N-[2-[(2R)-2-benzylpiperidin-1-yl]-2-oxoethyl]acetamide (CID 95286390) is 2-acetamido-N-[2-[(2R)-2-benzylpiperidin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-acetamido-N-[2-[(2R)-2-benzylpiperidin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for 2-acetamido-N-[2-[(2R)-2-benzylpiperidin-1-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)NCC(=O)N1CCCC[C@@H]1Cc1ccccc1.
What is the InChIKey of 2-acetamido-N-[2-[(2R)-2-benzylpiperidin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is ATIMJXIAQOIZHF-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-14(22)19-12-17(23)20-13-18(24)21-10-6-5-9-16(21)11-15-7-3-2-4-8-15/h2-4,7-8,16H,5-6,9-13H2,1H3,(H,19,22)(H,20,23)/t16-/m1/s1.
What are the key properties of 2-acetamido-N-[2-[(2R)-2-benzylpiperidin-1-yl]-2-oxoethyl]acetamide?
2-acetamido-N-[2-[(2R)-2-benzylpiperidin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 331.42 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-[(2R)-2-benzylpiperidin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 95286390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).