N-(2-acetamidoethyl)-2-(4-formylpiperidin-1-yl)acetamide

C12H21N3O3 — CID 55099739

IUPACN-(2-acetamidoethyl)-2-(4-formylpiperidin-1-yl)acetamide
SMILESCC(=O)NCCNC(=O)CN1CCC(C=O)CC1
InChIInChI=1S/C12H21N3O3/c1-10(17)13-4-5-14-12(18)8-15-6-2-11(9-16)3-7-15/h9,11H,2-8H2,1H3,(H,13,17)(H,14,18)
InChIKeyAOAFXTRZLTXLDS-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.85
Rot. Bonds6

About N-(2-acetamidoethyl)-2-(4-formylpiperidin-1-yl)acetamide

N-(2-acetamidoethyl)-2-(4-formylpiperidin-1-yl)acetamide (PubChem CID 55099739) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-(4-formylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-(4-formylpiperidin-1-yl)acetamide
PubChem CID55099739
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC NameN-(2-acetamidoethyl)-2-(4-formylpiperidin-1-yl)acetamide
SMILESCC(=O)NCCNC(=O)CN1CCC(C=O)CC1
InChIInChI=1S/C12H21N3O3/c1-10(17)13-4-5-14-12(18)8-15-6-2-11(9-16)3-7-15/h9,11H,2-8H2,1H3,(H,13,17)(H,14,18)
InChIKeyAOAFXTRZLTXLDS-UHFFFAOYSA-N
XLogP-0.85
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-Butanyl)-6-methyl-2,5-piperazinedione
CID 45359405
(3S,6S)-3-((2S)-butan-2-yl)-6-methylpiperazine-2,5-dione
CID 71359704
(3S,6S)-3-[(2S)-butan-2-yl]-6-propan-2-ylpiperazine-2,5-dione
CID 12086127
3,6-Di-sec-butylpiperazine-2,5-dione
CID 3252652
(3S,6S)-3,6-di-sec-butylpiperazine-2,5-dione
CID 16395765
cyclo(L-isoleucyl-L-isoleucyl)
CID 7076240
N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide dihydrochloride
CID 42933699
1-acetyl-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 6464517
(6S)-6-butan-2-yl-1-butylpiperazine-2,3-dione
CID 16745942
N-[2-(diethylamino)ethyl]piperidine-4-carboxamide
CID 16769085
1-(2-Aminoacetyl)piperidine-4-carboxamide
CID 19838833
4-(4-Methylpentanoyl)piperazin-2-one
CID 40231374

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-(4-formylpiperidin-1-yl)acetamide?
The IUPAC name of N-(2-acetamidoethyl)-2-(4-formylpiperidin-1-yl)acetamide (CID 55099739) is N-(2-acetamidoethyl)-2-(4-formylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-(4-formylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-(4-formylpiperidin-1-yl)acetamide is CC(=O)NCCNC(=O)CN1CCC(C=O)CC1.
What is the InChIKey of N-(2-acetamidoethyl)-2-(4-formylpiperidin-1-yl)acetamide?
The InChIKey is AOAFXTRZLTXLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-10(17)13-4-5-14-12(18)8-15-6-2-11(9-16)3-7-15/h9,11H,2-8H2,1H3,(H,13,17)(H,14,18).
What are the key properties of N-(2-acetamidoethyl)-2-(4-formylpiperidin-1-yl)acetamide?
N-(2-acetamidoethyl)-2-(4-formylpiperidin-1-yl)acetamide has a molecular weight of 255.32 g/mol, XLogP of -0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-(4-formylpiperidin-1-yl)acetamide is sourced from PubChem (CID 55099739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).