[2-(3-acetamidopiperidin-1-yl)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate

C21H30N2O4 — CID 71887977

IUPAC[2-(3-acetamidopiperidin-1-yl)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate
SMILESCC(=O)NC1CCCN(C(=O)COC(=O)c2c(C)c(C)c(C)c(C)c2C)C1
InChIInChI=1S/C21H30N2O4/c1-12-13(2)15(4)20(16(5)14(12)3)21(26)27-11-19(25)23-9-7-8-18(10-23)22-17(6)24/h18H,7-11H2,1-6H3,(H,22,24)
InChIKeyCSBQJKUFAYTDDA-UHFFFAOYSA-N
MW374.48 g/mol
LogP2.51
Rot. Bonds4

About [2-(3-acetamidopiperidin-1-yl)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate

[2-(3-acetamidopiperidin-1-yl)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate (PubChem CID 71887977) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is [2-(3-acetamidopiperidin-1-yl)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate.

Molecular Properties

Compound Name[2-(3-acetamidopiperidin-1-yl)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate
PubChem CID71887977
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name[2-(3-acetamidopiperidin-1-yl)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate
SMILESCC(=O)NC1CCCN(C(=O)COC(=O)c2c(C)c(C)c(C)c(C)c2C)C1
InChIInChI=1S/C21H30N2O4/c1-12-13(2)15(4)20(16(5)14(12)3)21(26)27-11-19(25)23-9-7-8-18(10-23)22-17(6)24/h18H,7-11H2,1-6H3,(H,22,24)
InChIKeyCSBQJKUFAYTDDA-UHFFFAOYSA-N
XLogP2.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(3-acetamidopiperidin-1-yl)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate with MolForge

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Related Compounds

N-[1-[2-(methylamino)acetyl]piperidin-3-yl]acetamide
CID 60947690
N-[1-(3-chloropropanoyl)piperidin-3-yl]acetamide
CID 60948683
N-[1-[2-(2-chloro-4-methylphenoxy)acetyl]piperidin-3-yl]acetamide
CID 71968843
N-[(3R)-1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]acetamide
CID 124516868
N-[1-[2-(4-aminopiperidin-1-yl)acetyl]piperidin-3-yl]acetamide;hydrochloride
CID 119908203
N-[(3R)-1-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]acetyl]piperidin-3-yl]acetamide
CID 100891285
N-[(3R)-1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]acetyl]piperidin-3-yl]acetamide
CID 124739797
ethyl N-[1-[2-(2-aminoethoxy)acetyl]piperidin-3-yl]carbamate
CID 79473770
N-[1-(2,2-difluoroacetyl)piperidin-3-yl]acetamide
CID 103515094
N-[1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidin-3-yl]acetamide
CID 71926391
N-[1-[2-[1-(5-methylfuran-2-yl)ethylamino]acetyl]piperidin-3-yl]acetamide
CID 86789543
ethyl N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-3-yl]carbamate
CID 115949885

Frequently Asked Questions

What is the IUPAC name of [2-(3-acetamidopiperidin-1-yl)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate?
The IUPAC name of [2-(3-acetamidopiperidin-1-yl)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate (CID 71887977) is [2-(3-acetamidopiperidin-1-yl)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate.
What is the SMILES notation for [2-(3-acetamidopiperidin-1-yl)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate?
The canonical SMILES for [2-(3-acetamidopiperidin-1-yl)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate is CC(=O)NC1CCCN(C(=O)COC(=O)c2c(C)c(C)c(C)c(C)c2C)C1.
What is the InChIKey of [2-(3-acetamidopiperidin-1-yl)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate?
The InChIKey is CSBQJKUFAYTDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-12-13(2)15(4)20(16(5)14(12)3)21(26)27-11-19(25)23-9-7-8-18(10-23)22-17(6)24/h18H,7-11H2,1-6H3,(H,22,24).
What are the key properties of [2-(3-acetamidopiperidin-1-yl)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate?
[2-(3-acetamidopiperidin-1-yl)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate has a molecular weight of 374.48 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-acetamidopiperidin-1-yl)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate is sourced from PubChem (CID 71887977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).