2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N,N-dimethylacetamide;hydrochloride

C13H24ClN3O2 — CID 110283411

IUPAC2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N,N-dimethylacetamide;hydrochloride
SMILESCN(C)C(=O)CC1NCCN(CC2CCC2)C1=O.Cl
InChIInChI=1S/C13H23N3O2.ClH/c1-15(2)12(17)8-11-13(18)16(7-6-14-11)9-10-4-3-5-10;/h10-11,14H,3-9H2,1-2H3;1H
InChIKeyVNOIUIITLCWJHS-UHFFFAOYSA-N
MW289.81 g/mol
LogP0.49
Rot. Bonds4

About 2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N,N-dimethylacetamide;hydrochloride

2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N,N-dimethylacetamide;hydrochloride (PubChem CID 110283411) has the molecular formula C13H24ClN3O2 and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N,N-dimethylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N,N-dimethylacetamide;hydrochloride
PubChem CID110283411
Molecular FormulaC13H24ClN3O2
Molecular Weight289.81 g/mol
Exact Mass289.16
IUPAC Name2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N,N-dimethylacetamide;hydrochloride
SMILESCN(C)C(=O)CC1NCCN(CC2CCC2)C1=O.Cl
InChIInChI=1S/C13H23N3O2.ClH/c1-15(2)12(17)8-11-13(18)16(7-6-14-11)9-10-4-3-5-10;/h10-11,14H,3-9H2,1-2H3;1H
InChIKeyVNOIUIITLCWJHS-UHFFFAOYSA-N
XLogP0.49
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N,N-dimethylacetamide;hydrochloride?
The IUPAC name of 2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N,N-dimethylacetamide;hydrochloride (CID 110283411) is 2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N,N-dimethylacetamide;hydrochloride.
What is the SMILES notation for 2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N,N-dimethylacetamide;hydrochloride?
The canonical SMILES for 2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N,N-dimethylacetamide;hydrochloride is CN(C)C(=O)CC1NCCN(CC2CCC2)C1=O.Cl.
What is the InChIKey of 2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N,N-dimethylacetamide;hydrochloride?
The InChIKey is VNOIUIITLCWJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2.ClH/c1-15(2)12(17)8-11-13(18)16(7-6-14-11)9-10-4-3-5-10;/h10-11,14H,3-9H2,1-2H3;1H.
What are the key properties of 2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N,N-dimethylacetamide;hydrochloride?
2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N,N-dimethylacetamide;hydrochloride has a molecular weight of 289.81 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N,N-dimethylacetamide;hydrochloride is sourced from PubChem (CID 110283411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).