1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidine-3-carboxylic acid

C14H25N3O3 — CID 54383768

IUPAC1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidine-3-carboxylic acid
SMILESCN1CCN(CCC(=O)N2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C14H25N3O3/c1-15-7-9-16(10-8-15)6-4-13(18)17-5-2-3-12(11-17)14(19)20/h12H,2-11H2,1H3,(H,19,20)
InChIKeyVBUKXECALWHKCU-UHFFFAOYSA-N
MW283.37 g/mol
LogP-0.05
Rot. Bonds4

About 1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidine-3-carboxylic acid

1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidine-3-carboxylic acid (PubChem CID 54383768) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidine-3-carboxylic acid
PubChem CID54383768
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidine-3-carboxylic acid
SMILESCN1CCN(CCC(=O)N2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C14H25N3O3/c1-15-7-9-16(10-8-15)6-4-13(18)17-5-2-3-12(11-17)14(19)20/h12H,2-11H2,1H3,(H,19,20)
InChIKeyVBUKXECALWHKCU-UHFFFAOYSA-N
XLogP-0.05
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidine-3-carboxylic acid (CID 54383768) is 1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidine-3-carboxylic acid is CN1CCN(CCC(=O)N2CCCC(C(=O)O)C2)CC1.
What is the InChIKey of 1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidine-3-carboxylic acid?
The InChIKey is VBUKXECALWHKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-15-7-9-16(10-8-15)6-4-13(18)17-5-2-3-12(11-17)14(19)20/h12H,2-11H2,1H3,(H,19,20).
What are the key properties of 1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidine-3-carboxylic acid?
1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidine-3-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylpiperazin-1-yl)propanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 54383768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).