N-butyl-2-[methyl(2-piperazin-1-ylethyl)amino]propanamide

C14H30N4O — CID 63266204

IUPACN-butyl-2-[methyl(2-piperazin-1-ylethyl)amino]propanamide
SMILESCCCCNC(=O)C(C)N(C)CCN1CCNCC1
InChIInChI=1S/C14H30N4O/c1-4-5-6-16-14(19)13(2)17(3)11-12-18-9-7-15-8-10-18/h13,15H,4-12H2,1-3H3,(H,16,19)
InChIKeyFSYOLKZAZHETIY-UHFFFAOYSA-N
MW270.42 g/mol
LogP0.13
Rot. Bonds8

About N-butyl-2-[methyl(2-piperazin-1-ylethyl)amino]propanamide

N-butyl-2-[methyl(2-piperazin-1-ylethyl)amino]propanamide (PubChem CID 63266204) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is N-butyl-2-[methyl(2-piperazin-1-ylethyl)amino]propanamide.

Molecular Properties

Compound NameN-butyl-2-[methyl(2-piperazin-1-ylethyl)amino]propanamide
PubChem CID63266204
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC NameN-butyl-2-[methyl(2-piperazin-1-ylethyl)amino]propanamide
SMILESCCCCNC(=O)C(C)N(C)CCN1CCNCC1
InChIInChI=1S/C14H30N4O/c1-4-5-6-16-14(19)13(2)17(3)11-12-18-9-7-15-8-10-18/h13,15H,4-12H2,1-3H3,(H,16,19)
InChIKeyFSYOLKZAZHETIY-UHFFFAOYSA-N
XLogP0.13
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(methylcarbamoyl)-2-[methyl(2-piperazin-1-ylethyl)amino]propanamide
CID 63266126
N-butyl-2-[methyl(2-piperidin-4-ylethyl)amino]propanamide
CID 66271946
2-ethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119393199
2-[methyl(2-piperazin-1-ylethyl)amino]butanoic acid
CID 64661581
2-[methyl(2-piperazin-1-ylethyl)amino]butanamide
CID 63266206
N,2-dimethyl-N-(2-piperazin-1-ylethyl)propanamide
CID 63265503
2-pentylsulfonyl-N-(3-piperazin-1-ylpropyl)acetamide
CID 119391501
2-(3-methylbutoxy)-N-(3-piperazin-1-ylpropyl)propanamide
CID 119392976
2-methoxy-N-(2-piperazin-1-ylethyl)propanamide
CID 115736805
2-[methyl(propyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43271283
4-[[2-[methyl(2-piperazin-1-ylethyl)amino]acetyl]amino]butanoic acid
CID 63265218
(2R)-N-(2-methylbutan-2-yl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propanamide
CID 97087184

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[methyl(2-piperazin-1-ylethyl)amino]propanamide?
The IUPAC name of N-butyl-2-[methyl(2-piperazin-1-ylethyl)amino]propanamide (CID 63266204) is N-butyl-2-[methyl(2-piperazin-1-ylethyl)amino]propanamide.
What is the SMILES notation for N-butyl-2-[methyl(2-piperazin-1-ylethyl)amino]propanamide?
The canonical SMILES for N-butyl-2-[methyl(2-piperazin-1-ylethyl)amino]propanamide is CCCCNC(=O)C(C)N(C)CCN1CCNCC1.
What is the InChIKey of N-butyl-2-[methyl(2-piperazin-1-ylethyl)amino]propanamide?
The InChIKey is FSYOLKZAZHETIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-4-5-6-16-14(19)13(2)17(3)11-12-18-9-7-15-8-10-18/h13,15H,4-12H2,1-3H3,(H,16,19).
What are the key properties of N-butyl-2-[methyl(2-piperazin-1-ylethyl)amino]propanamide?
N-butyl-2-[methyl(2-piperazin-1-ylethyl)amino]propanamide has a molecular weight of 270.42 g/mol, XLogP of 0.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[methyl(2-piperazin-1-ylethyl)amino]propanamide is sourced from PubChem (CID 63266204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).