3-[3-(4-methylpiperazin-1-yl)propanoylamino]pentanoic acid

C13H25N3O3 — CID 112517624

IUPAC3-[3-(4-methylpiperazin-1-yl)propanoylamino]pentanoic acid
SMILESCCC(CC(=O)O)NC(=O)CCN1CCN(C)CC1
InChIInChI=1S/C13H25N3O3/c1-3-11(10-13(18)19)14-12(17)4-5-16-8-6-15(2)7-9-16/h11H,3-10H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyQDVOTFIGRQIPOT-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.01
Rot. Bonds7

About 3-[3-(4-methylpiperazin-1-yl)propanoylamino]pentanoic acid

3-[3-(4-methylpiperazin-1-yl)propanoylamino]pentanoic acid (PubChem CID 112517624) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[3-(4-methylpiperazin-1-yl)propanoylamino]pentanoic acid.

Molecular Properties

Compound Name3-[3-(4-methylpiperazin-1-yl)propanoylamino]pentanoic acid
PubChem CID112517624
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name3-[3-(4-methylpiperazin-1-yl)propanoylamino]pentanoic acid
SMILESCCC(CC(=O)O)NC(=O)CCN1CCN(C)CC1
InChIInChI=1S/C13H25N3O3/c1-3-11(10-13(18)19)14-12(17)4-5-16-8-6-15(2)7-9-16/h11H,3-10H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyQDVOTFIGRQIPOT-UHFFFAOYSA-N
XLogP-0.01
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[3-(4-methylpiperazin-1-yl)propanoylamino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(4-methylpiperazin-1-yl)propanoylamino]butanoic acid
CID 110834607
3-[3-(azocan-1-yl)propanoylamino]heptanoic acid
CID 46983237
3-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid
CID 83019834
N-butyl-3-(4-methylpiperazin-1-yl)propanamide
CID 109012187
CID 58998076
CID 58998076
3-(4-methylpiperazin-1-yl)-N-propylpropanamide
CID 109011333
3-[4-(butan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid
CID 61188640
N-[(1R)-1,2-diphenylethyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 125175804
3-[4-(pentan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid
CID 61182383
3-(4-methylpiperazin-1-yl)-N-[1-(3-methyl-2-pyridinyl)propyl]propanamide
CID 118768572
2-[5-(4-methylpiperazin-1-yl)pentanoylamino]-3-sulfanylpropanoic acid
CID 74372004
3-[4-(2-methylbutylcarbamoyl)piperazin-1-yl]propanoic acid
CID 62691648

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylpiperazin-1-yl)propanoylamino]pentanoic acid?
The IUPAC name of 3-[3-(4-methylpiperazin-1-yl)propanoylamino]pentanoic acid (CID 112517624) is 3-[3-(4-methylpiperazin-1-yl)propanoylamino]pentanoic acid.
What is the SMILES notation for 3-[3-(4-methylpiperazin-1-yl)propanoylamino]pentanoic acid?
The canonical SMILES for 3-[3-(4-methylpiperazin-1-yl)propanoylamino]pentanoic acid is CCC(CC(=O)O)NC(=O)CCN1CCN(C)CC1.
What is the InChIKey of 3-[3-(4-methylpiperazin-1-yl)propanoylamino]pentanoic acid?
The InChIKey is QDVOTFIGRQIPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-3-11(10-13(18)19)14-12(17)4-5-16-8-6-15(2)7-9-16/h11H,3-10H2,1-2H3,(H,14,17)(H,18,19).
What are the key properties of 3-[3-(4-methylpiperazin-1-yl)propanoylamino]pentanoic acid?
3-[3-(4-methylpiperazin-1-yl)propanoylamino]pentanoic acid has a molecular weight of 271.36 g/mol, XLogP of -0.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylpiperazin-1-yl)propanoylamino]pentanoic acid is sourced from PubChem (CID 112517624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).