acetyl 2-(1-benzylpiperidin-4-yl)acetate

C16H21NO3 — CID 175102662

IUPACacetyl 2-(1-benzylpiperidin-4-yl)acetate
SMILESCC(=O)OC(=O)CC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H21NO3/c1-13(18)20-16(19)11-14-7-9-17(10-8-14)12-15-5-3-2-4-6-15/h2-6,14H,7-12H2,1H3
InChIKeyMGTGMJKZHQECMA-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.38
Rot. Bonds4

About acetyl 2-(1-benzylpiperidin-4-yl)acetate

acetyl 2-(1-benzylpiperidin-4-yl)acetate (PubChem CID 175102662) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is acetyl 2-(1-benzylpiperidin-4-yl)acetate.

Molecular Properties

Compound Nameacetyl 2-(1-benzylpiperidin-4-yl)acetate
PubChem CID175102662
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Nameacetyl 2-(1-benzylpiperidin-4-yl)acetate
SMILESCC(=O)OC(=O)CC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H21NO3/c1-13(18)20-16(19)11-14-7-9-17(10-8-14)12-15-5-3-2-4-6-15/h2-6,14H,7-12H2,1H3
InChIKeyMGTGMJKZHQECMA-UHFFFAOYSA-N
XLogP2.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methane;methyl 2-(1-benzylpiperidin-4-yl)acetate
CID 78582433
propan-2-yl 2-(1-benzylpiperidin-4-yl)acetate
CID 83983157
methyl 2-[1-[(4-bromophenyl)methyl]piperidin-4-yl]acetate
CID 83983260
1-(1-benzylpiperidin-4-yl)ethanone
CID 910923
N-[4-[2-(1-benzylpiperidin-4-yl)acetyl]phenyl]acetamide
CID 19968938
(1-benzylpiperidin-4-yl) 3-oxobutanoate
CID 13108113
methyl 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 17221672
3-[[4-(2-ethoxy-2-oxoethyl)piperidin-1-yl]methyl]benzoic acid
CID 122028667
methyl 2-(1-benzylpiperidin-4-yl)ethanimidate;dihydrochloride
CID 14518101
2-[1-[(4-bromophenyl)methyl]piperidin-4-yl]acetic acid
CID 79606346
propan-2-yl 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]acetate
CID 83983182
ethyl 2-(1-benzylpiperidin-4-yl)sulfanylacetate
CID 11277813

Frequently Asked Questions

What is the IUPAC name of acetyl 2-(1-benzylpiperidin-4-yl)acetate?
The IUPAC name of acetyl 2-(1-benzylpiperidin-4-yl)acetate (CID 175102662) is acetyl 2-(1-benzylpiperidin-4-yl)acetate.
What is the SMILES notation for acetyl 2-(1-benzylpiperidin-4-yl)acetate?
The canonical SMILES for acetyl 2-(1-benzylpiperidin-4-yl)acetate is CC(=O)OC(=O)CC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of acetyl 2-(1-benzylpiperidin-4-yl)acetate?
The InChIKey is MGTGMJKZHQECMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-13(18)20-16(19)11-14-7-9-17(10-8-14)12-15-5-3-2-4-6-15/h2-6,14H,7-12H2,1H3.
What are the key properties of acetyl 2-(1-benzylpiperidin-4-yl)acetate?
acetyl 2-(1-benzylpiperidin-4-yl)acetate has a molecular weight of 275.35 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl 2-(1-benzylpiperidin-4-yl)acetate is sourced from PubChem (CID 175102662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).