N-butyl-3-(4-methylpiperazin-1-yl)propanamide

C12H25N3O — CID 109012187

IUPACN-butyl-3-(4-methylpiperazin-1-yl)propanamide
SMILESCCCCNC(=O)CCN1CCN(C)CC1
InChIInChI=1S/C12H25N3O/c1-3-4-6-13-12(16)5-7-15-10-8-14(2)9-11-15/h3-11H2,1-2H3,(H,13,16)
InChIKeyCFDINUVRSJELSA-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.54
Rot. Bonds6

About N-butyl-3-(4-methylpiperazin-1-yl)propanamide

N-butyl-3-(4-methylpiperazin-1-yl)propanamide (PubChem CID 109012187) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-butyl-3-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-butyl-3-(4-methylpiperazin-1-yl)propanamide
PubChem CID109012187
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-butyl-3-(4-methylpiperazin-1-yl)propanamide
SMILESCCCCNC(=O)CCN1CCN(C)CC1
InChIInChI=1S/C12H25N3O/c1-3-4-6-13-12(16)5-7-15-10-8-14(2)9-11-15/h3-11H2,1-2H3,(H,13,16)
InChIKeyCFDINUVRSJELSA-UHFFFAOYSA-N
XLogP0.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3-(4-ethylpiperazin-1-yl)propanamide
CID 109012188
3-(4-methylpiperazin-1-yl)-N-propylpropanamide
CID 109011333
ethyl 4-[3-(butylamino)-3-oxopropyl]piperazine-1-carboxylate
CID 109012229
N-butyl-3-(4-methylpiperidin-1-yl)propanamide
CID 109012179
3-(4-methylpiperazin-1-yl)-N-[10-(4-methylpiperazin-1-yl)-8-oxodecyl]propanamide
CID 165060852
ethane;5-(4-methylpiperazin-1-yl)-N-propylpentanamide
CID 176967624
3-(4-formylpiperazin-1-yl)-N-pentylpropanamide
CID 109017998
N-[3-[4-[3-(octadecanoylamino)propyl]piperazin-1-yl]propyl]octadecanamide
CID 54494521
3-[4-[1-[3-(butylamino)-3-oxopropyl]piperidin-4-yl]piperidin-1-yl]-N-methylpropanamide
CID 90442249
N-[3-(4-ethylpiperazin-1-yl)propyl]pentanamide
CID 144835640
3-(4-butan-2-ylpiperazin-1-yl)-N-pentylpropanamide
CID 156820113
3-(4-acetylpiperazin-1-yl)-N-propylpropanamide
CID 109011336

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of N-butyl-3-(4-methylpiperazin-1-yl)propanamide (CID 109012187) is N-butyl-3-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-butyl-3-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for N-butyl-3-(4-methylpiperazin-1-yl)propanamide is CCCCNC(=O)CCN1CCN(C)CC1.
What is the InChIKey of N-butyl-3-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is CFDINUVRSJELSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-4-6-13-12(16)5-7-15-10-8-14(2)9-11-15/h3-11H2,1-2H3,(H,13,16).
What are the key properties of N-butyl-3-(4-methylpiperazin-1-yl)propanamide?
N-butyl-3-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 227.35 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 109012187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).