1-piperazin-1-yl-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-1-one;hydrochloride

C15H26ClN3OS — CID 120980871

IUPAC1-piperazin-1-yl-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-1-one;hydrochloride
SMILESCC(C)N(CCC(=O)N1CCNCC1)Cc1cccs1.Cl
InChIInChI=1S/C15H25N3OS.ClH/c1-13(2)18(12-14-4-3-11-20-14)8-5-15(19)17-9-6-16-7-10-17;/h3-4,11,13,16H,5-10,12H2,1-2H3;1H
InChIKeyFPXMHRYKENEUHK-UHFFFAOYSA-N
MW331.91 g/mol
LogP2.20
Rot. Bonds6

About 1-piperazin-1-yl-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-1-one;hydrochloride

1-piperazin-1-yl-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-1-one;hydrochloride (PubChem CID 120980871) has the molecular formula C15H26ClN3OS and a molecular weight of 331.91 g/mol. Its IUPAC name is 1-piperazin-1-yl-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-piperazin-1-yl-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-1-one;hydrochloride
PubChem CID120980871
Molecular FormulaC15H26ClN3OS
Molecular Weight331.91 g/mol
Exact Mass331.15
IUPAC Name1-piperazin-1-yl-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-1-one;hydrochloride
SMILESCC(C)N(CCC(=O)N1CCNCC1)Cc1cccs1.Cl
InChIInChI=1S/C15H25N3OS.ClH/c1-13(2)18(12-14-4-3-11-20-14)8-5-15(19)17-9-6-16-7-10-17;/h3-4,11,13,16H,5-10,12H2,1-2H3;1H
InChIKeyFPXMHRYKENEUHK-UHFFFAOYSA-N
XLogP2.20
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.91
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-piperazin-1-yl-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-1-one;hydrochloride with MolForge

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Related Compounds

3-[benzyl(propan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980299
1-(1,4-diazepan-1-yl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone
CID 79476598
3-[benzyl(propan-2-yl)amino]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 109017239
1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-5-thiophen-2-ylpentan-1-one
CID 110420377
1-piperazin-1-yl-4-thiophen-2-ylbutane-1,4-dione;hydrochloride
CID 119400033
3-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980467
3-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-1-piperazin-1-ylpropan-1-one
CID 120981095
1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]-5-thiophen-2-ylpentan-1-one
CID 110617956
N-(2-methylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide
CID 20934401
3-[1-phenylpropyl(propyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980922
3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289693
3-[(3-bromophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980775

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-1-one;hydrochloride?
The IUPAC name of 1-piperazin-1-yl-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-1-one;hydrochloride (CID 120980871) is 1-piperazin-1-yl-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-1-one;hydrochloride.
What is the SMILES notation for 1-piperazin-1-yl-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-1-one;hydrochloride?
The canonical SMILES for 1-piperazin-1-yl-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-1-one;hydrochloride is CC(C)N(CCC(=O)N1CCNCC1)Cc1cccs1.Cl.
What is the InChIKey of 1-piperazin-1-yl-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-1-one;hydrochloride?
The InChIKey is FPXMHRYKENEUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS.ClH/c1-13(2)18(12-14-4-3-11-20-14)8-5-15(19)17-9-6-16-7-10-17;/h3-4,11,13,16H,5-10,12H2,1-2H3;1H.
What are the key properties of 1-piperazin-1-yl-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-1-one;hydrochloride?
1-piperazin-1-yl-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-1-one;hydrochloride has a molecular weight of 331.91 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-1-one;hydrochloride is sourced from PubChem (CID 120980871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).