3-methyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]butanamide;hydrochloride

C15H31ClN4O2 — CID 119390933

IUPAC3-methyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]butanamide;hydrochloride
SMILESCC(C)CC(=O)NCCC(=O)NCCCN1CCNCC1.Cl
InChIInChI=1S/C15H30N4O2.ClH/c1-13(2)12-15(21)18-6-4-14(20)17-5-3-9-19-10-7-16-8-11-19;/h13,16H,3-12H2,1-2H3,(H,17,20)(H,18,21);1H
InChIKeyKHLIHUKYUKCADC-UHFFFAOYSA-N
MW334.89 g/mol
LogP0.37
Rot. Bonds9

About 3-methyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]butanamide;hydrochloride

3-methyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]butanamide;hydrochloride (PubChem CID 119390933) has the molecular formula C15H31ClN4O2 and a molecular weight of 334.89 g/mol. Its IUPAC name is 3-methyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]butanamide;hydrochloride
PubChem CID119390933
Molecular FormulaC15H31ClN4O2
Molecular Weight334.89 g/mol
Exact Mass334.21
IUPAC Name3-methyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]butanamide;hydrochloride
SMILESCC(C)CC(=O)NCCC(=O)NCCCN1CCNCC1.Cl
InChIInChI=1S/C15H30N4O2.ClH/c1-13(2)12-15(21)18-6-4-14(20)17-5-3-9-19-10-7-16-8-11-19;/h13,16H,3-12H2,1-2H3,(H,17,20)(H,18,21);1H
InChIKeyKHLIHUKYUKCADC-UHFFFAOYSA-N
XLogP0.37
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.89
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119447149
3,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide;hydrochloride
CID 119393526
2,2-dimethyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]propanamide
CID 119391257
3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119400363
2-(3-methylbutylsulfanyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119393490
5,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide
CID 119394555
N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butan-2-yl]cyclopentanecarboxamide;hydrochloride
CID 119394023
N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]butanamide
CID 119393390
3,3-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119391133
N-(3-piperazin-1-ylpropyl)pent-4-enamide
CID 62679296
2-ethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119393199
2-(3-methylbutoxy)-N-(3-piperazin-1-ylpropyl)propanamide
CID 119392976

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]butanamide;hydrochloride?
The IUPAC name of 3-methyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]butanamide;hydrochloride (CID 119390933) is 3-methyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]butanamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]butanamide;hydrochloride?
The canonical SMILES for 3-methyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]butanamide;hydrochloride is CC(C)CC(=O)NCCC(=O)NCCCN1CCNCC1.Cl.
What is the InChIKey of 3-methyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]butanamide;hydrochloride?
The InChIKey is KHLIHUKYUKCADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2.ClH/c1-13(2)12-15(21)18-6-4-14(20)17-5-3-9-19-10-7-16-8-11-19;/h13,16H,3-12H2,1-2H3,(H,17,20)(H,18,21);1H.
What are the key properties of 3-methyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]butanamide;hydrochloride?
3-methyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]butanamide;hydrochloride has a molecular weight of 334.89 g/mol, XLogP of 0.37, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]butanamide;hydrochloride is sourced from PubChem (CID 119390933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).