3-(5-methyloxolan-2-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride

C14H28ClN3O2 — CID 119447660

IUPAC3-(5-methyloxolan-2-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
SMILESCC1CCC(CCC(=O)NCCN2CCNCC2)O1.Cl
InChIInChI=1S/C14H27N3O2.ClH/c1-12-2-3-13(19-12)4-5-14(18)16-8-11-17-9-6-15-7-10-17;/h12-13,15H,2-11H2,1H3,(H,16,18);1H
InChIKeyAMXHAIXWDNGUGL-UHFFFAOYSA-N
MW305.85 g/mol
LogP0.78
Rot. Bonds6

About 3-(5-methyloxolan-2-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride

3-(5-methyloxolan-2-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride (PubChem CID 119447660) has the molecular formula C14H28ClN3O2 and a molecular weight of 305.85 g/mol. Its IUPAC name is 3-(5-methyloxolan-2-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(5-methyloxolan-2-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
PubChem CID119447660
Molecular FormulaC14H28ClN3O2
Molecular Weight305.85 g/mol
Exact Mass305.19
IUPAC Name3-(5-methyloxolan-2-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
SMILESCC1CCC(CCC(=O)NCCN2CCNCC2)O1.Cl
InChIInChI=1S/C14H27N3O2.ClH/c1-12-2-3-13(19-12)4-5-14(18)16-8-11-17-9-6-15-7-10-17;/h12-13,15H,2-11H2,1H3,(H,16,18);1H
InChIKeyAMXHAIXWDNGUGL-UHFFFAOYSA-N
XLogP0.78
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-methyloxolan-2-yl)-1-piperazin-1-ylpropan-1-one
CID 119402493
3-(5-methyloxolan-2-yl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119388756
3-(5-methyloxolan-2-yl)-N-(2-piperidin-3-ylethyl)propanamide
CID 119557859
N-(2-piperazin-1-ylethyl)-3-propan-2-yloxypropanamide;hydrochloride
CID 119445635
3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119447149
2-methoxy-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119446588
2,2-dimethyl-N-[3-oxo-3-(2-piperazin-1-ylethylamino)propyl]propanamide
CID 119445483
N-(3-amino-2-methylpropyl)-3-(5-methyloxolan-2-yl)propanamide;hydrochloride
CID 119998020
ethane;molecular hydrogen;N-(2-piperazin-1-ylethyl)-2-piperidin-4-ylacetamide
CID 177321931
2-acetamido-N-(2-piperazin-1-ylethyl)acetamide
CID 43600274
N,N'-bis(2-piperazin-1-ylethyl)ethanedithioamide
CID 3034507
3-methyl-N-(2-piperazin-1-ylethyl)pyrrolidine-1-carboxamide
CID 82511399

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyloxolan-2-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride?
The IUPAC name of 3-(5-methyloxolan-2-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride (CID 119447660) is 3-(5-methyloxolan-2-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(5-methyloxolan-2-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride?
The canonical SMILES for 3-(5-methyloxolan-2-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride is CC1CCC(CCC(=O)NCCN2CCNCC2)O1.Cl.
What is the InChIKey of 3-(5-methyloxolan-2-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride?
The InChIKey is AMXHAIXWDNGUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2.ClH/c1-12-2-3-13(19-12)4-5-14(18)16-8-11-17-9-6-15-7-10-17;/h12-13,15H,2-11H2,1H3,(H,16,18);1H.
What are the key properties of 3-(5-methyloxolan-2-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride?
3-(5-methyloxolan-2-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride has a molecular weight of 305.85 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyloxolan-2-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride is sourced from PubChem (CID 119447660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).