4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-3-ethylpiperazin-2-one;hydrochloride

C15H26ClN3O2 — CID 119773833

IUPAC4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-3-ethylpiperazin-2-one;hydrochloride
SMILESCCC1C(=O)NCCN1C(=O)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C15H25N3O2.ClH/c1-2-13-15(20)16-5-6-18(13)14(19)9-10-7-11-3-4-12(8-10)17-11;/h10-13,17H,2-9H2,1H3,(H,16,20);1H
InChIKeyLIHKMJOJPHGNGC-UHFFFAOYSA-N
MW315.85 g/mol
LogP1.07
Rot. Bonds3

About 4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-3-ethylpiperazin-2-one;hydrochloride

4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-3-ethylpiperazin-2-one;hydrochloride (PubChem CID 119773833) has the molecular formula C15H26ClN3O2 and a molecular weight of 315.85 g/mol. Its IUPAC name is 4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-3-ethylpiperazin-2-one;hydrochloride.

Molecular Properties

Compound Name4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-3-ethylpiperazin-2-one;hydrochloride
PubChem CID119773833
Molecular FormulaC15H26ClN3O2
Molecular Weight315.85 g/mol
Exact Mass315.17
IUPAC Name4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-3-ethylpiperazin-2-one;hydrochloride
SMILESCCC1C(=O)NCCN1C(=O)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C15H25N3O2.ClH/c1-2-13-15(20)16-5-6-18(13)14(19)9-10-7-11-3-4-12(8-10)17-11;/h10-13,17H,2-9H2,1H3,(H,16,20);1H
InChIKeyLIHKMJOJPHGNGC-UHFFFAOYSA-N
XLogP1.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-3-ethylpiperazin-2-one;hydrochloride?
The IUPAC name of 4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-3-ethylpiperazin-2-one;hydrochloride (CID 119773833) is 4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-3-ethylpiperazin-2-one;hydrochloride.
What is the SMILES notation for 4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-3-ethylpiperazin-2-one;hydrochloride?
The canonical SMILES for 4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-3-ethylpiperazin-2-one;hydrochloride is CCC1C(=O)NCCN1C(=O)CC1CC2CCC(C1)N2.Cl.
What is the InChIKey of 4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-3-ethylpiperazin-2-one;hydrochloride?
The InChIKey is LIHKMJOJPHGNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2.ClH/c1-2-13-15(20)16-5-6-18(13)14(19)9-10-7-11-3-4-12(8-10)17-11;/h10-13,17H,2-9H2,1H3,(H,16,20);1H.
What are the key properties of 4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-3-ethylpiperazin-2-one;hydrochloride?
4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-3-ethylpiperazin-2-one;hydrochloride has a molecular weight of 315.85 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-3-ethylpiperazin-2-one;hydrochloride is sourced from PubChem (CID 119773833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).