1-[2-(cyclohexa-1,5-diene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid

C15H20N2O4 — CID 142520807

IUPAC1-[2-(cyclohexa-1,5-diene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid
SMILESO=C(NCC(=O)N1CCC(C(=O)O)CC1)C1=CCCC=C1
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/h2,4-5,12H,1,3,6-10H2,(H,16,19)(H,20,21)
InChIKeyYGPIODDDOUWEDG-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.70
Rot. Bonds4

About 1-[2-(cyclohexa-1,5-diene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid

1-[2-(cyclohexa-1,5-diene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid (PubChem CID 142520807) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-[2-(cyclohexa-1,5-diene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(cyclohexa-1,5-diene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid
PubChem CID142520807
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name1-[2-(cyclohexa-1,5-diene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid
SMILESO=C(NCC(=O)N1CCC(C(=O)O)CC1)C1=CCCC=C1
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/h2,4-5,12H,1,3,6-10H2,(H,16,19)(H,20,21)
InChIKeyYGPIODDDOUWEDG-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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Related Compounds

1-[(6-Oxo-1,6-dihydropyridin-3-yl)carbonyl]piperidine-4-carboxylic acid
CID 3605122
1-[(E,4S)-4-[(2-formamidoacetyl)-methylamino]-2,5-dimethylhex-2-enoyl]piperidine-4-carboxylic acid
CID 89273323
4-[4-[[5-(Methylcarbamoyl)cyclohexa-1,5-dien-1-yl]methyl]piperazin-1-yl]butanoic acid
CID 90245965
1-[(4S)-4-[(2-formamidoacetyl)-methylamino]-2,5-dimethylhex-2-enoyl]piperidine-4-carboxylic acid
CID 123668260
1-[2-(3-oxo-6,7-dihydro-1H-isoindol-2-yl)acetyl]piperidine-4-carboxylic acid
CID 142338193
1-[2-(Cyclohexa-1,3-diene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid
CID 142338214
1-[2-(Cyclohex-3-ene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid
CID 142338245
1-[2-[[(6Z)-deca-3,4,6-trien-9-ynoyl]amino]acetyl]piperidine-4-carboxylic acid
CID 142573618
1-[(E,4S)-4-[(2-formamidoacetyl)-methylamino]-2,5-dimethylhex-2-enoyl]piperidine-4-carboxylic acid;propane;1-propan-2-ylpiperidine
CID 157167035
1-[2-(4-Methyl-2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylic acid
CID 62961945
4-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 63123248
4-ethyl-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 63125373

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexa-1,5-diene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(cyclohexa-1,5-diene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid (CID 142520807) is 1-[2-(cyclohexa-1,5-diene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(cyclohexa-1,5-diene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(cyclohexa-1,5-diene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid is O=C(NCC(=O)N1CCC(C(=O)O)CC1)C1=CCCC=C1.
What is the InChIKey of 1-[2-(cyclohexa-1,5-diene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid?
The InChIKey is YGPIODDDOUWEDG-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/h2,4-5,12H,1,3,6-10H2,(H,16,19)(H,20,21).
What are the key properties of 1-[2-(cyclohexa-1,5-diene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid?
1-[2-(cyclohexa-1,5-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-1,5-diene-1-carbonylamino)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 142520807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).