5-oxo-5-(4-pyridin-4-ylpiperazin-1-yl)pentanoic acid

C14H19N3O3 — CID 134069474

IUPAC5-oxo-5-(4-pyridin-4-ylpiperazin-1-yl)pentanoic acid
SMILESO=C(O)CCCC(=O)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C14H19N3O3/c18-13(2-1-3-14(19)20)17-10-8-16(9-11-17)12-4-6-15-7-5-12/h4-7H,1-3,8-11H2,(H,19,20)
InChIKeyILIHCSJBBXORDJ-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.99
Rot. Bonds5

About 5-oxo-5-(4-pyridin-4-ylpiperazin-1-yl)pentanoic acid

5-oxo-5-(4-pyridin-4-ylpiperazin-1-yl)pentanoic acid (PubChem CID 134069474) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 5-oxo-5-(4-pyridin-4-ylpiperazin-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-(4-pyridin-4-ylpiperazin-1-yl)pentanoic acid
PubChem CID134069474
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name5-oxo-5-(4-pyridin-4-ylpiperazin-1-yl)pentanoic acid
SMILESO=C(O)CCCC(=O)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C14H19N3O3/c18-13(2-1-3-14(19)20)17-10-8-16(9-11-17)12-4-6-15-7-5-12/h4-7H,1-3,8-11H2,(H,19,20)
InChIKeyILIHCSJBBXORDJ-UHFFFAOYSA-N
XLogP0.99
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-oxo-5-(4-pyridin-4-ylpiperazin-1-yl)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-amino-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
CID 22945719
9-oxo-9-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]nonanoic acid
CID 71523643
5-oxo-5-[4-(4-phenoxyphenyl)piperazin-1-yl]pentanoic acid
CID 2051581
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
4-(4-tert-butylphenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)butan-1-one
CID 166191715
2-[1-hydroxy-4-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]cyclohexyl]acetic acid
CID 70190836
2-[1-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]acetic acid
CID 21462820
1-(5-phenyl-3,4-dihydropyrazol-2-yl)-4-(4-pyridin-4-ylpiperazin-1-yl)butane-1,4-dione
CID 31421196
1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
CID 60636215
tert-butyl N-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]carbamate
CID 78813690
3-indol-1-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
CID 9255042
3-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]amino]propanoic acid
CID 21462701

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-(4-pyridin-4-ylpiperazin-1-yl)pentanoic acid?
The IUPAC name of 5-oxo-5-(4-pyridin-4-ylpiperazin-1-yl)pentanoic acid (CID 134069474) is 5-oxo-5-(4-pyridin-4-ylpiperazin-1-yl)pentanoic acid.
What is the SMILES notation for 5-oxo-5-(4-pyridin-4-ylpiperazin-1-yl)pentanoic acid?
The canonical SMILES for 5-oxo-5-(4-pyridin-4-ylpiperazin-1-yl)pentanoic acid is O=C(O)CCCC(=O)N1CCN(c2ccncc2)CC1.
What is the InChIKey of 5-oxo-5-(4-pyridin-4-ylpiperazin-1-yl)pentanoic acid?
The InChIKey is ILIHCSJBBXORDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-13(2-1-3-14(19)20)17-10-8-16(9-11-17)12-4-6-15-7-5-12/h4-7H,1-3,8-11H2,(H,19,20).
What are the key properties of 5-oxo-5-(4-pyridin-4-ylpiperazin-1-yl)pentanoic acid?
5-oxo-5-(4-pyridin-4-ylpiperazin-1-yl)pentanoic acid has a molecular weight of 277.32 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-(4-pyridin-4-ylpiperazin-1-yl)pentanoic acid is sourced from PubChem (CID 134069474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).