2-[1-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]acetic acid

C19H28N4O3 — CID 21462820

IUPAC2-[1-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)CCN2CCN(c3ccncc3)CC2)CC1
InChIInChI=1S/C19H28N4O3/c24-18(23-9-3-16(4-10-23)15-19(25)26)5-8-21-11-13-22(14-12-21)17-1-6-20-7-2-17/h1-2,6-7,16H,3-5,8-15H2,(H,25,26)
InChIKeyCTEXQKCCSOCFAF-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.31
Rot. Bonds6

About 2-[1-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]acetic acid

2-[1-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]acetic acid (PubChem CID 21462820) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[1-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]acetic acid
PubChem CID21462820
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name2-[1-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)CCN2CCN(c3ccncc3)CC2)CC1
InChIInChI=1S/C19H28N4O3/c24-18(23-9-3-16(4-10-23)15-19(25)26)5-8-21-11-13-22(14-12-21)17-1-6-20-7-2-17/h1-2,6-7,16H,3-5,8-15H2,(H,25,26)
InChIKeyCTEXQKCCSOCFAF-UHFFFAOYSA-N
XLogP1.31
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]acetic 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

5-oxo-5-(4-pyridin-4-ylpiperazin-1-yl)pentanoic acid
CID 134069474
2-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetic acid
CID 79615008
2-(1-pyridin-4-ylazetidin-3-yl)acetic acid
CID 64616240
2-[1-hydroxy-4-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]cyclohexyl]acetic acid
CID 70190836
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-(4-phenylpiperazin-1-yl)propan-1-one
CID 119541842
tert-butyl 4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]piperidine-1-carboxylate
CID 15947415
3-amino-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
CID 22945719
2-(1-pyridin-4-ylpiperidin-4-yl)acetate
CID 18918250
2-methyl-4-[1-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]piperidin-4-yl]butanoic acid;dihydrochloride
CID 174366852
1-(4-benzylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109030337
3-(4-methylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 110853147
1-(4-methylpiperazin-1-yl)-3-(4-phenylpiperazin-1-yl)propan-1-one
CID 109017216

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]acetic acid (CID 21462820) is 2-[1-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)CCN2CCN(c3ccncc3)CC2)CC1.
What is the InChIKey of 2-[1-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]acetic acid?
The InChIKey is CTEXQKCCSOCFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c24-18(23-9-3-16(4-10-23)15-19(25)26)5-8-21-11-13-22(14-12-21)17-1-6-20-7-2-17/h1-2,6-7,16H,3-5,8-15H2,(H,25,26).
What are the key properties of 2-[1-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]acetic acid?
2-[1-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]acetic acid has a molecular weight of 360.46 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 21462820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).