3-[[3-(4-pyridin-4-ylpiperazin-1-yl)benzoyl]amino]propanoic acid

C19H22N4O3 — CID 57289759

IUPAC3-[[3-(4-pyridin-4-ylpiperazin-1-yl)benzoyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1cccc(N2CCN(c3ccncc3)CC2)c1
InChIInChI=1S/C19H22N4O3/c24-18(25)6-9-21-19(26)15-2-1-3-17(14-15)23-12-10-22(11-13-23)16-4-7-20-8-5-16/h1-5,7-8,14H,6,9-13H2,(H,21,26)(H,24,25)
InChIKeyMRSAZMNYZRZMGR-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.61
Rot. Bonds6

About 3-[[3-(4-pyridin-4-ylpiperazin-1-yl)benzoyl]amino]propanoic acid

3-[[3-(4-pyridin-4-ylpiperazin-1-yl)benzoyl]amino]propanoic acid (PubChem CID 57289759) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[[3-(4-pyridin-4-ylpiperazin-1-yl)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[3-(4-pyridin-4-ylpiperazin-1-yl)benzoyl]amino]propanoic acid
PubChem CID57289759
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name3-[[3-(4-pyridin-4-ylpiperazin-1-yl)benzoyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1cccc(N2CCN(c3ccncc3)CC2)c1
InChIInChI=1S/C19H22N4O3/c24-18(25)6-9-21-19(26)15-2-1-3-17(14-15)23-12-10-22(11-13-23)16-4-7-20-8-5-16/h1-5,7-8,14H,6,9-13H2,(H,21,26)(H,24,25)
InChIKeyMRSAZMNYZRZMGR-UHFFFAOYSA-N
XLogP1.61
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-2-carbonyl]amino]propanoic acid
CID 54438613
2-[[3-(4-pyridin-4-ylpiperazin-1-yl)benzoyl]amino]propanoic acid
CID 18918591
3-[(3-hydroxybenzoyl)amino]propanoic acid
CID 16773120
3-[[3-(5-methyltetrazol-2-yl)benzoyl]amino]propanoic acid
CID 168974288
3-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 17226023
N-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]thiophene-3-carboxamide
CID 38027132
3-morpholin-4-yl-N-(2-phenoxyethyl)benzamide
CID 117088247
5-oxo-5-(4-pyridin-4-ylpiperazin-1-yl)pentanoic acid
CID 134069474
3-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)piperidin-1-yl]amino]propanoic acid
CID 21462701
N-[3-(4-phenylpiperazin-1-yl)propyl]-3-(tetrazol-1-yl)benzamide
CID 33134269
3-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide
CID 24737765
3,4-dimethyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzamide
CID 9254212

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-pyridin-4-ylpiperazin-1-yl)benzoyl]amino]propanoic acid?
The IUPAC name of 3-[[3-(4-pyridin-4-ylpiperazin-1-yl)benzoyl]amino]propanoic acid (CID 57289759) is 3-[[3-(4-pyridin-4-ylpiperazin-1-yl)benzoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[3-(4-pyridin-4-ylpiperazin-1-yl)benzoyl]amino]propanoic acid?
The canonical SMILES for 3-[[3-(4-pyridin-4-ylpiperazin-1-yl)benzoyl]amino]propanoic acid is O=C(O)CCNC(=O)c1cccc(N2CCN(c3ccncc3)CC2)c1.
What is the InChIKey of 3-[[3-(4-pyridin-4-ylpiperazin-1-yl)benzoyl]amino]propanoic acid?
The InChIKey is MRSAZMNYZRZMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c24-18(25)6-9-21-19(26)15-2-1-3-17(14-15)23-12-10-22(11-13-23)16-4-7-20-8-5-16/h1-5,7-8,14H,6,9-13H2,(H,21,26)(H,24,25).
What are the key properties of 3-[[3-(4-pyridin-4-ylpiperazin-1-yl)benzoyl]amino]propanoic acid?
3-[[3-(4-pyridin-4-ylpiperazin-1-yl)benzoyl]amino]propanoic acid has a molecular weight of 354.41 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-pyridin-4-ylpiperazin-1-yl)benzoyl]amino]propanoic acid is sourced from PubChem (CID 57289759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).