2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-propan-2-ylacetamide;hydrochloride

C14H26ClN3O3 — CID 110282902

IUPAC2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-propan-2-ylacetamide;hydrochloride
SMILESCC(C)NC(=O)CC1NCCN(CC2CCCO2)C1=O.Cl
InChIInChI=1S/C14H25N3O3.ClH/c1-10(2)16-13(18)8-12-14(19)17(6-5-15-12)9-11-4-3-7-20-11;/h10-12,15H,3-9H2,1-2H3,(H,16,18);1H
InChIKeyUYJUMUZTUMWCOC-UHFFFAOYSA-N
MW319.83 g/mol
LogP0.30
Rot. Bonds5

About 2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-propan-2-ylacetamide;hydrochloride

2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-propan-2-ylacetamide;hydrochloride (PubChem CID 110282902) has the molecular formula C14H26ClN3O3 and a molecular weight of 319.83 g/mol. Its IUPAC name is 2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-propan-2-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-propan-2-ylacetamide;hydrochloride
PubChem CID110282902
Molecular FormulaC14H26ClN3O3
Molecular Weight319.83 g/mol
Exact Mass319.17
IUPAC Name2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-propan-2-ylacetamide;hydrochloride
SMILESCC(C)NC(=O)CC1NCCN(CC2CCCO2)C1=O.Cl
InChIInChI=1S/C14H25N3O3.ClH/c1-10(2)16-13(18)8-12-14(19)17(6-5-15-12)9-11-4-3-7-20-11;/h10-12,15H,3-9H2,1-2H3,(H,16,18);1H
InChIKeyUYJUMUZTUMWCOC-UHFFFAOYSA-N
XLogP0.30
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]acetamide
CID 110282877
2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
CID 110282708
2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-phenylacetamide;hydrochloride
CID 110282898
2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-phenylacetamide
CID 110282899
N,N-diethyl-2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]acetamide
CID 110282833
2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 110282985
2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
CID 110283976
oxolan-2-ylmethyl 2-[4-(2-fluoroethyl)-3-oxopiperazin-2-yl]acetate
CID 110283312
2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N,N-dimethylacetamide;hydrochloride
CID 110283411
2-[2-(oxolan-2-yl)ethylamino]-N-propan-2-ylacetamide
CID 61039747
2-[[5-oxo-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylacetamide
CID 51141335
3-(methylamino)-1-(oxolan-2-ylmethyl)azepan-2-one
CID 22984909

Frequently Asked Questions

What is the IUPAC name of 2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-propan-2-ylacetamide;hydrochloride?
The IUPAC name of 2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-propan-2-ylacetamide;hydrochloride (CID 110282902) is 2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-propan-2-ylacetamide;hydrochloride.
What is the SMILES notation for 2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-propan-2-ylacetamide;hydrochloride?
The canonical SMILES for 2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-propan-2-ylacetamide;hydrochloride is CC(C)NC(=O)CC1NCCN(CC2CCCO2)C1=O.Cl.
What is the InChIKey of 2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-propan-2-ylacetamide;hydrochloride?
The InChIKey is UYJUMUZTUMWCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3.ClH/c1-10(2)16-13(18)8-12-14(19)17(6-5-15-12)9-11-4-3-7-20-11;/h10-12,15H,3-9H2,1-2H3,(H,16,18);1H.
What are the key properties of 2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-propan-2-ylacetamide;hydrochloride?
2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-propan-2-ylacetamide;hydrochloride has a molecular weight of 319.83 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-4-(oxolan-2-ylmethyl)piperazin-2-yl]-N-propan-2-ylacetamide;hydrochloride is sourced from PubChem (CID 110282902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).