3-methyl-N-[(3-piperazin-1-ylpropanoylamino)methyl]butanamide

C13H26N4O2 — CID 130410641

IUPAC3-methyl-N-[(3-piperazin-1-ylpropanoylamino)methyl]butanamide
SMILESCC(C)CC(=O)NCNC(=O)CCN1CCNCC1
InChIInChI=1S/C13H26N4O2/c1-11(2)9-13(19)16-10-15-12(18)3-6-17-7-4-14-5-8-17/h11,14H,3-10H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyLGNNMQJWMDPDJK-UHFFFAOYSA-N
MW270.38 g/mol
LogP-0.48
Rot. Bonds7

About 3-methyl-N-[(3-piperazin-1-ylpropanoylamino)methyl]butanamide

3-methyl-N-[(3-piperazin-1-ylpropanoylamino)methyl]butanamide (PubChem CID 130410641) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-methyl-N-[(3-piperazin-1-ylpropanoylamino)methyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[(3-piperazin-1-ylpropanoylamino)methyl]butanamide
PubChem CID130410641
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name3-methyl-N-[(3-piperazin-1-ylpropanoylamino)methyl]butanamide
SMILESCC(C)CC(=O)NCNC(=O)CCN1CCNCC1
InChIInChI=1S/C13H26N4O2/c1-11(2)9-13(19)16-10-15-12(18)3-6-17-7-4-14-5-8-17/h11,14H,3-10H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyLGNNMQJWMDPDJK-UHFFFAOYSA-N
XLogP-0.48
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Tetrahydro-alpha-(1-methylethyl)-2-oxo-1-(2h)-pyrimidineacetamide
CID 106347667
N-(methylcarbamoyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 42946038
4-butanoyl-N-ethylpiperazine-1-carboxamide
CID 60354508
4-[(2S)-2-amino-3-methylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide
CID 61163225
4-[2-(aminomethyl)-2-ethylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide
CID 91659884
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 9328418
3-methyl-N-(piperidin-1-ylmethyl)butanamide
CID 12226874
1,5-Diethyl-1,3-diazinane-2,4,6-trione
CID 12782052
N-[[3-[2-(dimethylamino)ethyl-methylamino]propanoylamino]methyl]butanamide
CID 22086289
N-[[3-(3,4-dimethylpiperazin-1-yl)propanoylamino]methyl]butanamide
CID 22086290
5-Ethyl-1-pentyl-1,3-diazinane-2,4,6-trione
CID 22392075
2-Tert-butyl-3,5,6-trimethyl-1,3-diazinan-4-one
CID 22959831

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3-piperazin-1-ylpropanoylamino)methyl]butanamide?
The IUPAC name of 3-methyl-N-[(3-piperazin-1-ylpropanoylamino)methyl]butanamide (CID 130410641) is 3-methyl-N-[(3-piperazin-1-ylpropanoylamino)methyl]butanamide.
What is the SMILES notation for 3-methyl-N-[(3-piperazin-1-ylpropanoylamino)methyl]butanamide?
The canonical SMILES for 3-methyl-N-[(3-piperazin-1-ylpropanoylamino)methyl]butanamide is CC(C)CC(=O)NCNC(=O)CCN1CCNCC1.
What is the InChIKey of 3-methyl-N-[(3-piperazin-1-ylpropanoylamino)methyl]butanamide?
The InChIKey is LGNNMQJWMDPDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-11(2)9-13(19)16-10-15-12(18)3-6-17-7-4-14-5-8-17/h11,14H,3-10H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of 3-methyl-N-[(3-piperazin-1-ylpropanoylamino)methyl]butanamide?
3-methyl-N-[(3-piperazin-1-ylpropanoylamino)methyl]butanamide has a molecular weight of 270.38 g/mol, XLogP of -0.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3-piperazin-1-ylpropanoylamino)methyl]butanamide is sourced from PubChem (CID 130410641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).