2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoylamino]phenyl]acetic acid

C20H24N4O3 — CID 15383406

IUPAC2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoylamino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)CCN2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C20H24N4O3/c25-19(22-17-3-1-16(2-4-17)15-20(26)27)7-10-23-11-13-24(14-12-23)18-5-8-21-9-6-18/h1-6,8-9H,7,10-15H2,(H,22,25)(H,26,27)
InChIKeyHSPCHRCATDGPOX-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.86
Rot. Bonds7

About 2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoylamino]phenyl]acetic acid

2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoylamino]phenyl]acetic acid (PubChem CID 15383406) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoylamino]phenyl]acetic acid
PubChem CID15383406
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoylamino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)CCN2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C20H24N4O3/c25-19(22-17-3-1-16(2-4-17)15-20(26)27)7-10-23-11-13-24(14-12-23)18-5-8-21-9-6-18/h1-6,8-9H,7,10-15H2,(H,22,25)(H,26,27)
InChIKeyHSPCHRCATDGPOX-UHFFFAOYSA-N
XLogP1.86
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenyl]acetic acid
CID 18918340
N-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661863
1-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-3-pyridin-4-ylurea
CID 66561333
N-(4-tert-butylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 109027175
methyl 4-[4-[3-(4-phenylpiperazin-1-yl)propanoylamino]phenyl]butanoate
CID 14209810
3-(4-ethylpiperazin-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109017734
3-(methanesulfonamido)-N-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]propanamide
CID 143632110
N-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661841
N-(4-cyanophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 30400948
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylacetamide
CID 969221
N-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 109027329
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110409810

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoylamino]phenyl]acetic acid?
The IUPAC name of 2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoylamino]phenyl]acetic acid (CID 15383406) is 2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoylamino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoylamino]phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)CCN2CCN(c3ccncc3)CC2)cc1.
What is the InChIKey of 2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoylamino]phenyl]acetic acid?
The InChIKey is HSPCHRCATDGPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c25-19(22-17-3-1-16(2-4-17)15-20(26)27)7-10-23-11-13-24(14-12-23)18-5-8-21-9-6-18/h1-6,8-9H,7,10-15H2,(H,22,25)(H,26,27).
What are the key properties of 2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoylamino]phenyl]acetic acid?
2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoylamino]phenyl]acetic acid has a molecular weight of 368.44 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoylamino]phenyl]acetic acid is sourced from PubChem (CID 15383406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).