2-(4-acetamidopiperidin-1-yl)ethyl 4-aminopiperidine-1-carboxylate

C15H28N4O3 — CID 57143196

IUPAC2-(4-acetamidopiperidin-1-yl)ethyl 4-aminopiperidine-1-carboxylate
SMILESCC(=O)NC1CCN(CCOC(=O)N2CCC(N)CC2)CC1
InChIInChI=1S/C15H28N4O3/c1-12(20)17-14-4-6-18(7-5-14)10-11-22-15(21)19-8-2-13(16)3-9-19/h13-14H,2-11,16H2,1H3,(H,17,20)
InChIKeyAVUFOEVFZUOMPF-UHFFFAOYSA-N
MW312.41 g/mol
LogP0.15
Rot. Bonds4

About 2-(4-acetamidopiperidin-1-yl)ethyl 4-aminopiperidine-1-carboxylate

2-(4-acetamidopiperidin-1-yl)ethyl 4-aminopiperidine-1-carboxylate (PubChem CID 57143196) has the molecular formula C15H28N4O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-(4-acetamidopiperidin-1-yl)ethyl 4-aminopiperidine-1-carboxylate.

Molecular Properties

Compound Name2-(4-acetamidopiperidin-1-yl)ethyl 4-aminopiperidine-1-carboxylate
PubChem CID57143196
Molecular FormulaC15H28N4O3
Molecular Weight312.41 g/mol
Exact Mass312.22
IUPAC Name2-(4-acetamidopiperidin-1-yl)ethyl 4-aminopiperidine-1-carboxylate
SMILESCC(=O)NC1CCN(CCOC(=O)N2CCC(N)CC2)CC1
InChIInChI=1S/C15H28N4O3/c1-12(20)17-14-4-6-18(7-5-14)10-11-22-15(21)19-8-2-13(16)3-9-19/h13-14H,2-11,16H2,1H3,(H,17,20)
InChIKeyAVUFOEVFZUOMPF-UHFFFAOYSA-N
XLogP0.15
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidopiperidin-1-yl)ethyl 4-aminopiperidine-1-carboxylate?
The IUPAC name of 2-(4-acetamidopiperidin-1-yl)ethyl 4-aminopiperidine-1-carboxylate (CID 57143196) is 2-(4-acetamidopiperidin-1-yl)ethyl 4-aminopiperidine-1-carboxylate.
What is the SMILES notation for 2-(4-acetamidopiperidin-1-yl)ethyl 4-aminopiperidine-1-carboxylate?
The canonical SMILES for 2-(4-acetamidopiperidin-1-yl)ethyl 4-aminopiperidine-1-carboxylate is CC(=O)NC1CCN(CCOC(=O)N2CCC(N)CC2)CC1.
What is the InChIKey of 2-(4-acetamidopiperidin-1-yl)ethyl 4-aminopiperidine-1-carboxylate?
The InChIKey is AVUFOEVFZUOMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O3/c1-12(20)17-14-4-6-18(7-5-14)10-11-22-15(21)19-8-2-13(16)3-9-19/h13-14H,2-11,16H2,1H3,(H,17,20).
What are the key properties of 2-(4-acetamidopiperidin-1-yl)ethyl 4-aminopiperidine-1-carboxylate?
2-(4-acetamidopiperidin-1-yl)ethyl 4-aminopiperidine-1-carboxylate has a molecular weight of 312.41 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidopiperidin-1-yl)ethyl 4-aminopiperidine-1-carboxylate is sourced from PubChem (CID 57143196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).