4-benzamido-1-(2,6-diaminohexanoyl)piperidine-2-carboxylic acid

C19H28N4O4 — CID 67393156

IUPAC4-benzamido-1-(2,6-diaminohexanoyl)piperidine-2-carboxylic acid
SMILESNCCCCC(N)C(=O)N1CCC(NC(=O)c2ccccc2)CC1C(=O)O
InChIInChI=1S/C19H28N4O4/c20-10-5-4-8-15(21)18(25)23-11-9-14(12-16(23)19(26)27)22-17(24)13-6-2-1-3-7-13/h1-3,6-7,14-16H,4-5,8-12,20-21H2,(H,22,24)(H,26,27)
InChIKeyHLRNQFYUVDTBEB-UHFFFAOYSA-N
MW376.46 g/mol
LogP0.32
Rot. Bonds8

About 4-benzamido-1-(2,6-diaminohexanoyl)piperidine-2-carboxylic acid

4-benzamido-1-(2,6-diaminohexanoyl)piperidine-2-carboxylic acid (PubChem CID 67393156) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-benzamido-1-(2,6-diaminohexanoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-benzamido-1-(2,6-diaminohexanoyl)piperidine-2-carboxylic acid
PubChem CID67393156
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Name4-benzamido-1-(2,6-diaminohexanoyl)piperidine-2-carboxylic acid
SMILESNCCCCC(N)C(=O)N1CCC(NC(=O)c2ccccc2)CC1C(=O)O
InChIInChI=1S/C19H28N4O4/c20-10-5-4-8-15(21)18(25)23-11-9-14(12-16(23)19(26)27)22-17(24)13-6-2-1-3-7-13/h1-3,6-7,14-16H,4-5,8-12,20-21H2,(H,22,24)(H,26,27)
InChIKeyHLRNQFYUVDTBEB-UHFFFAOYSA-N
XLogP0.32
TPSA138.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-benzamido-1-(2,6-diaminohexanoyl)piperidine-2-carboxylic acid?
The IUPAC name of 4-benzamido-1-(2,6-diaminohexanoyl)piperidine-2-carboxylic acid (CID 67393156) is 4-benzamido-1-(2,6-diaminohexanoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-benzamido-1-(2,6-diaminohexanoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-benzamido-1-(2,6-diaminohexanoyl)piperidine-2-carboxylic acid is NCCCCC(N)C(=O)N1CCC(NC(=O)c2ccccc2)CC1C(=O)O.
What is the InChIKey of 4-benzamido-1-(2,6-diaminohexanoyl)piperidine-2-carboxylic acid?
The InChIKey is HLRNQFYUVDTBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4/c20-10-5-4-8-15(21)18(25)23-11-9-14(12-16(23)19(26)27)22-17(24)13-6-2-1-3-7-13/h1-3,6-7,14-16H,4-5,8-12,20-21H2,(H,22,24)(H,26,27).
What are the key properties of 4-benzamido-1-(2,6-diaminohexanoyl)piperidine-2-carboxylic acid?
4-benzamido-1-(2,6-diaminohexanoyl)piperidine-2-carboxylic acid has a molecular weight of 376.46 g/mol, XLogP of 0.32, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-1-(2,6-diaminohexanoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 67393156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).