3-[[4-(4-hydroxybenzoyl)piperazine-1-carbonyl]amino]propanoic acid

C15H19N3O5 — CID 122019335

IUPAC3-[[4-(4-hydroxybenzoyl)piperazine-1-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C15H19N3O5/c19-12-3-1-11(2-4-12)14(22)17-7-9-18(10-8-17)15(23)16-6-5-13(20)21/h1-4,19H,5-10H2,(H,16,23)(H,20,21)
InChIKeyLWOOPWOADSFDAO-UHFFFAOYSA-N
MW321.33 g/mol
LogP0.33
Rot. Bonds4

About 3-[[4-(4-hydroxybenzoyl)piperazine-1-carbonyl]amino]propanoic acid

3-[[4-(4-hydroxybenzoyl)piperazine-1-carbonyl]amino]propanoic acid (PubChem CID 122019335) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is 3-[[4-(4-hydroxybenzoyl)piperazine-1-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[4-(4-hydroxybenzoyl)piperazine-1-carbonyl]amino]propanoic acid
PubChem CID122019335
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name3-[[4-(4-hydroxybenzoyl)piperazine-1-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C15H19N3O5/c19-12-3-1-11(2-4-12)14(22)17-7-9-18(10-8-17)15(23)16-6-5-13(20)21/h1-4,19H,5-10H2,(H,16,23)(H,20,21)
InChIKeyLWOOPWOADSFDAO-UHFFFAOYSA-N
XLogP0.33
TPSA110.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(4-fluorobenzoyl)-1,4-diazepane-1-carbonyl]amino]propanoic acid
CID 122017797
3-[[4-(3-fluorobenzoyl)piperazine-1-carbonyl]amino]propanoic acid
CID 122017791
4-[[4-(4-ethylbenzoyl)piperazine-1-carbonyl]amino]butanoic acid
CID 122021576
4-(4-hydroxybenzoyl)-N-(2-piperidin-4-ylethyl)piperazine-1-carboxamide
CID 167989542
N-[2-(2-fluorophenyl)ethyl]-4-(4-hydroxybenzoyl)piperazine-1-carboxamide
CID 87000027
4-[[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]amino]butanoic acid
CID 122021551
4-(4-acetamidobenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812235
3-[[4-(2,6-dichlorophenyl)piperazine-1-carbonyl]amino]propanoic acid
CID 122017871
3-[(4-ethylpiperazine-1-carbonyl)amino]propanoic acid
CID 61190436
2-[1-(4-hydroxybenzoyl)piperidin-4-yl]acetic acid
CID 79614725
4-(4-ethoxybenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812417
3-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]propanoic acid
CID 61203101

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-hydroxybenzoyl)piperazine-1-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[4-(4-hydroxybenzoyl)piperazine-1-carbonyl]amino]propanoic acid (CID 122019335) is 3-[[4-(4-hydroxybenzoyl)piperazine-1-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[4-(4-hydroxybenzoyl)piperazine-1-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[4-(4-hydroxybenzoyl)piperazine-1-carbonyl]amino]propanoic acid is O=C(O)CCNC(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1.
What is the InChIKey of 3-[[4-(4-hydroxybenzoyl)piperazine-1-carbonyl]amino]propanoic acid?
The InChIKey is LWOOPWOADSFDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5/c19-12-3-1-11(2-4-12)14(22)17-7-9-18(10-8-17)15(23)16-6-5-13(20)21/h1-4,19H,5-10H2,(H,16,23)(H,20,21).
What are the key properties of 3-[[4-(4-hydroxybenzoyl)piperazine-1-carbonyl]amino]propanoic acid?
3-[[4-(4-hydroxybenzoyl)piperazine-1-carbonyl]amino]propanoic acid has a molecular weight of 321.33 g/mol, XLogP of 0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-hydroxybenzoyl)piperazine-1-carbonyl]amino]propanoic acid is sourced from PubChem (CID 122019335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).