N-(2-propan-2-ylpiperazin-1-yl)acetamide

C9H19N3O — CID 69099359

IUPACN-(2-propan-2-ylpiperazin-1-yl)acetamide
SMILESCC(=O)NN1CCNCC1C(C)C
InChIInChI=1S/C9H19N3O/c1-7(2)9-6-10-4-5-12(9)11-8(3)13/h7,9-10H,4-6H2,1-3H3,(H,11,13)
InChIKeyAKSSSKPQDNNVQD-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.03
Rot. Bonds2

About N-(2-propan-2-ylpiperazin-1-yl)acetamide

N-(2-propan-2-ylpiperazin-1-yl)acetamide (PubChem CID 69099359) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is N-(2-propan-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-propan-2-ylpiperazin-1-yl)acetamide
PubChem CID69099359
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC NameN-(2-propan-2-ylpiperazin-1-yl)acetamide
SMILESCC(=O)NN1CCNCC1C(C)C
InChIInChI=1S/C9H19N3O/c1-7(2)9-6-10-4-5-12(9)11-8(3)13/h7,9-10H,4-6H2,1-3H3,(H,11,13)
InChIKeyAKSSSKPQDNNVQD-UHFFFAOYSA-N
XLogP-0.03
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-propan-2-ylpiperazin-1-yl)acetamide (CID 69099359) is N-(2-propan-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-propan-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-propan-2-ylpiperazin-1-yl)acetamide is CC(=O)NN1CCNCC1C(C)C.
What is the InChIKey of N-(2-propan-2-ylpiperazin-1-yl)acetamide?
The InChIKey is AKSSSKPQDNNVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7(2)9-6-10-4-5-12(9)11-8(3)13/h7,9-10H,4-6H2,1-3H3,(H,11,13).
What are the key properties of N-(2-propan-2-ylpiperazin-1-yl)acetamide?
N-(2-propan-2-ylpiperazin-1-yl)acetamide has a molecular weight of 185.27 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 69099359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).