2-[1-[(4-carbamimidoylbenzoyl)carbamoyl]piperidin-4-yl]oxyacetic acid

C16H20N4O5 — CID 23370026

IUPAC2-[1-[(4-carbamimidoylbenzoyl)carbamoyl]piperidin-4-yl]oxyacetic acid
SMILES[H]/N=C(\N)c1ccc(C(=O)NC(=O)N2CCC(OCC(=O)O)CC2)cc1
InChIInChI=1S/C16H20N4O5/c17-14(18)10-1-3-11(4-2-10)15(23)19-16(24)20-7-5-12(6-8-20)25-9-13(21)22/h1-4,12H,5-9H2,(H3,17,18)(H,21,22)(H,19,23,24)
InChIKeyYESVJBALSHISGQ-UHFFFAOYSA-N
MW348.36 g/mol
LogP0.39
Rot. Bonds5

About 2-[1-[(4-carbamimidoylbenzoyl)carbamoyl]piperidin-4-yl]oxyacetic acid

2-[1-[(4-carbamimidoylbenzoyl)carbamoyl]piperidin-4-yl]oxyacetic acid (PubChem CID 23370026) has the molecular formula C16H20N4O5 and a molecular weight of 348.36 g/mol. Its IUPAC name is 2-[1-[(4-carbamimidoylbenzoyl)carbamoyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[(4-carbamimidoylbenzoyl)carbamoyl]piperidin-4-yl]oxyacetic acid
PubChem CID23370026
Molecular FormulaC16H20N4O5
Molecular Weight348.36 g/mol
Exact Mass348.14
IUPAC Name2-[1-[(4-carbamimidoylbenzoyl)carbamoyl]piperidin-4-yl]oxyacetic acid
SMILES[H]/N=C(\N)c1ccc(C(=O)NC(=O)N2CCC(OCC(=O)O)CC2)cc1
InChIInChI=1S/C16H20N4O5/c17-14(18)10-1-3-11(4-2-10)15(23)19-16(24)20-7-5-12(6-8-20)25-9-13(21)22/h1-4,12H,5-9H2,(H3,17,18)(H,21,22)(H,19,23,24)
InChIKeyYESVJBALSHISGQ-UHFFFAOYSA-N
XLogP0.39
TPSA145.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 50.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[1-[(4-carbamimidoylbenzoyl)carbamoyl]piperidin-4-yl]oxyacetic 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

2-[1-[1-(4-carbamimidoylphenyl)-1-oxobutan-2-yl]piperidin-4-yl]oxyacetic acid
CID 54505197
2-[1-[(2S)-2-[(4-carbamimidoylbenzoyl)amino]-3-(4-hydroxy-3-iodophenyl)propanoyl]piperidin-4-yl]oxyacetic acid
CID 54514543
ethyl 2-[1-[(2S)-2-[(4-carbamimidoylbenzoyl)amino]propanoyl]piperidin-4-yl]oxyacetate
CID 10811208
ethyl 2-[1-[(4-cyanobenzoyl)carbamoyl]piperidin-4-yl]oxyacetate
CID 23369999
2-[1-[2-[[4-[(Z)-N'-hydroxycarbamimidoyl]benzoyl]amino]propanoyl]piperidin-4-yl]oxyacetic acid
CID 18538416
2-[1-[2-[[4-(N'-hydroxycarbamimidoyl)benzoyl]amino]propanoyl]piperidin-4-yl]oxyacetic acid
CID 85088263
ethyl 2-[1-[(2R)-4-(4-carbamimidoylphenyl)-2-methyl-4-oxobutanoyl]piperidin-4-yl]oxyacetate
CID 86754712
ethyl 2-[1-[4-(4-carbamimidoylphenyl)-3-methyl-4-oxobutanoyl]piperidin-4-yl]oxyacetate
CID 86754709
tert-butyl 2-[1-[(2S)-2-[(4-carbamimidoylbenzoyl)amino]-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]oxyacetate
CID 10530090
3-[1-(5-carbamimidoyl-1-benzofuran-2-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 100992789
2-[1-(4-iodobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63869906
2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63875053

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-carbamimidoylbenzoyl)carbamoyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[(4-carbamimidoylbenzoyl)carbamoyl]piperidin-4-yl]oxyacetic acid (CID 23370026) is 2-[1-[(4-carbamimidoylbenzoyl)carbamoyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[(4-carbamimidoylbenzoyl)carbamoyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[(4-carbamimidoylbenzoyl)carbamoyl]piperidin-4-yl]oxyacetic acid is [H]/N=C(\N)c1ccc(C(=O)NC(=O)N2CCC(OCC(=O)O)CC2)cc1.
What is the InChIKey of 2-[1-[(4-carbamimidoylbenzoyl)carbamoyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is YESVJBALSHISGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O5/c17-14(18)10-1-3-11(4-2-10)15(23)19-16(24)20-7-5-12(6-8-20)25-9-13(21)22/h1-4,12H,5-9H2,(H3,17,18)(H,21,22)(H,19,23,24).
What are the key properties of 2-[1-[(4-carbamimidoylbenzoyl)carbamoyl]piperidin-4-yl]oxyacetic acid?
2-[1-[(4-carbamimidoylbenzoyl)carbamoyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 348.36 g/mol, XLogP of 0.39, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-carbamimidoylbenzoyl)carbamoyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 23370026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).