1-[2-(cyclohexa-1,3-diene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid

C15H20N2O4 — CID 142338214

IUPAC1-[2-(cyclohexa-1,3-diene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid
SMILESO=C(NCC(=O)N1CCC(C(=O)O)CC1)C1=CC=CCC1
InChIInChI=1S/C15H20N2O4/c18-13(17-8-6-12(7-9-17)15(20)21)10-16-14(19)11-4-2-1-3-5-11/h1-2,4,12H,3,5-10H2,(H,16,19)(H,20,21)
InChIKeyWSVWBVAPKNXFTE-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.70
Rot. Bonds4

About 1-[2-(cyclohexa-1,3-diene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid

1-[2-(cyclohexa-1,3-diene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid (PubChem CID 142338214) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-[2-(cyclohexa-1,3-diene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(cyclohexa-1,3-diene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid
PubChem CID142338214
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name1-[2-(cyclohexa-1,3-diene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid
SMILESO=C(NCC(=O)N1CCC(C(=O)O)CC1)C1=CC=CCC1
InChIInChI=1S/C15H20N2O4/c18-13(17-8-6-12(7-9-17)15(20)21)10-16-14(19)11-4-2-1-3-5-11/h1-2,4,12H,3,5-10H2,(H,16,19)(H,20,21)
InChIKeyWSVWBVAPKNXFTE-UHFFFAOYSA-N
XLogP0.70
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexa-1,3-diene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(cyclohexa-1,3-diene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid (CID 142338214) is 1-[2-(cyclohexa-1,3-diene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(cyclohexa-1,3-diene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(cyclohexa-1,3-diene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid is O=C(NCC(=O)N1CCC(C(=O)O)CC1)C1=CC=CCC1.
What is the InChIKey of 1-[2-(cyclohexa-1,3-diene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid?
The InChIKey is WSVWBVAPKNXFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-13(17-8-6-12(7-9-17)15(20)21)10-16-14(19)11-4-2-1-3-5-11/h1-2,4,12H,3,5-10H2,(H,16,19)(H,20,21).
What are the key properties of 1-[2-(cyclohexa-1,3-diene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid?
1-[2-(cyclohexa-1,3-diene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexa-1,3-diene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 142338214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).