2-(4-nonanoylpiperazin-1-yl)propanoic acid

C16H30N2O3 — CID 62317785

IUPAC2-(4-nonanoylpiperazin-1-yl)propanoic acid
SMILESCCCCCCCCC(=O)N1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C16H30N2O3/c1-3-4-5-6-7-8-9-15(19)18-12-10-17(11-13-18)14(2)16(20)21/h14H,3-13H2,1-2H3,(H,20,21)
InChIKeySLZKFTTUDNEBIE-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.35
Rot. Bonds9

About 2-(4-nonanoylpiperazin-1-yl)propanoic acid

2-(4-nonanoylpiperazin-1-yl)propanoic acid (PubChem CID 62317785) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-(4-nonanoylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-nonanoylpiperazin-1-yl)propanoic acid
PubChem CID62317785
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-(4-nonanoylpiperazin-1-yl)propanoic acid
SMILESCCCCCCCCC(=O)N1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C16H30N2O3/c1-3-4-5-6-7-8-9-15(19)18-12-10-17(11-13-18)14(2)16(20)21/h14H,3-13H2,1-2H3,(H,20,21)
InChIKeySLZKFTTUDNEBIE-UHFFFAOYSA-N
XLogP2.35
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
2-(4-hept-6-ynoylpiperazin-1-yl)propanoic acid
CID 114028499
2-(4-nonylpiperazin-1-yl)propanoic acid
CID 62310084
1-(4-propanoylpiperazin-1-yl)tetradecan-1-one
CID 10338117
1-(4-decanoyl-1,4-diazepan-1-yl)decan-1-one
CID 4155089
2-(4-octan-2-ylpiperazin-1-yl)propanoic acid
CID 65062156
1-(4-methylpiperazin-1-yl)heptadecan-1-one
CID 10043612
1-pyrrolidin-1-ylheptadecan-1-one
CID 574649
1-[4,7,10,13,16-penta(pentanoyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]pentan-1-one
CID 603333
1-(4-ethylpiperazin-1-yl)tetradecan-1-one
CID 10358918
1-(4-methylpiperazin-1-yl)hexan-1-one
CID 3470875
2-(4-heptanoylpiperazin-1-yl)acetic acid
CID 43521357

Frequently Asked Questions

What is the IUPAC name of 2-(4-nonanoylpiperazin-1-yl)propanoic acid?
The IUPAC name of 2-(4-nonanoylpiperazin-1-yl)propanoic acid (CID 62317785) is 2-(4-nonanoylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for 2-(4-nonanoylpiperazin-1-yl)propanoic acid?
The canonical SMILES for 2-(4-nonanoylpiperazin-1-yl)propanoic acid is CCCCCCCCC(=O)N1CCN(C(C)C(=O)O)CC1.
What is the InChIKey of 2-(4-nonanoylpiperazin-1-yl)propanoic acid?
The InChIKey is SLZKFTTUDNEBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-3-4-5-6-7-8-9-15(19)18-12-10-17(11-13-18)14(2)16(20)21/h14H,3-13H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-nonanoylpiperazin-1-yl)propanoic acid?
2-(4-nonanoylpiperazin-1-yl)propanoic acid has a molecular weight of 298.43 g/mol, XLogP of 2.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nonanoylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 62317785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).