2-(3-acetamidopiperidin-1-yl)-N-pentylacetamide

C14H27N3O2 — CID 87014513

IUPAC2-(3-acetamidopiperidin-1-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)CN1CCCC(NC(C)=O)C1
InChIInChI=1S/C14H27N3O2/c1-3-4-5-8-15-14(19)11-17-9-6-7-13(10-17)16-12(2)18/h13H,3-11H2,1-2H3,(H,15,19)(H,16,18)
InChIKeyYODXVAAVJQNMPU-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.89
Rot. Bonds7

About 2-(3-acetamidopiperidin-1-yl)-N-pentylacetamide

2-(3-acetamidopiperidin-1-yl)-N-pentylacetamide (PubChem CID 87014513) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(3-acetamidopiperidin-1-yl)-N-pentylacetamide.

Molecular Properties

Compound Name2-(3-acetamidopiperidin-1-yl)-N-pentylacetamide
PubChem CID87014513
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-(3-acetamidopiperidin-1-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)CN1CCCC(NC(C)=O)C1
InChIInChI=1S/C14H27N3O2/c1-3-4-5-8-15-14(19)11-17-9-6-7-13(10-17)16-12(2)18/h13H,3-11H2,1-2H3,(H,15,19)(H,16,18)
InChIKeyYODXVAAVJQNMPU-UHFFFAOYSA-N
XLogP0.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-heptylpiperidin-3-yl)acetamide
CID 21122308
2-(3-acetamidopiperidin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 75461490
2-(3-acetamidopiperidin-1-yl)-N-[3-(N-methylanilino)propyl]acetamide
CID 60503613
N-dodecyl-2-pyrrolidin-1-ylacetamide
CID 11971610
2-(azepan-1-yl)-N-pentylacetamide
CID 109006030
2-(3-acetamidopiperidin-1-yl)-N-[3-(1-phenylethoxy)propyl]acetamide
CID 87017788
N-dodecyl-2-piperidin-1-ylacetamide
CID 3064220
N-hexyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 111334118
N-butyl-2-pyrrolidin-1-ylacetamide
CID 110687965
2-(4-methylpiperidin-1-yl)-N-pentylacetamide
CID 108993711
2-(3-acetamidopiperidin-1-yl)-N-(4-methylphenyl)acetamide
CID 60511665
2-(3-acetamidopiperidin-1-yl)-N-phenylacetamide
CID 60503649

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidopiperidin-1-yl)-N-pentylacetamide?
The IUPAC name of 2-(3-acetamidopiperidin-1-yl)-N-pentylacetamide (CID 87014513) is 2-(3-acetamidopiperidin-1-yl)-N-pentylacetamide.
What is the SMILES notation for 2-(3-acetamidopiperidin-1-yl)-N-pentylacetamide?
The canonical SMILES for 2-(3-acetamidopiperidin-1-yl)-N-pentylacetamide is CCCCCNC(=O)CN1CCCC(NC(C)=O)C1.
What is the InChIKey of 2-(3-acetamidopiperidin-1-yl)-N-pentylacetamide?
The InChIKey is YODXVAAVJQNMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-4-5-8-15-14(19)11-17-9-6-7-13(10-17)16-12(2)18/h13H,3-11H2,1-2H3,(H,15,19)(H,16,18).
What are the key properties of 2-(3-acetamidopiperidin-1-yl)-N-pentylacetamide?
2-(3-acetamidopiperidin-1-yl)-N-pentylacetamide has a molecular weight of 269.39 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidopiperidin-1-yl)-N-pentylacetamide is sourced from PubChem (CID 87014513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).