6-methyl-1-pent-4-enoylpiperidine-3-carboxylic acid

C12H19NO3 — CID 122083544

IUPAC6-methyl-1-pent-4-enoylpiperidine-3-carboxylic acid
SMILESC=CCCC(=O)N1CC(C(=O)O)CCC1C
InChIInChI=1S/C12H19NO3/c1-3-4-5-11(14)13-8-10(12(15)16)7-6-9(13)2/h3,9-10H,1,4-8H2,2H3,(H,15,16)
InChIKeyOSCFNKAUNKEMGI-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.66
Rot. Bonds4

About 6-methyl-1-pent-4-enoylpiperidine-3-carboxylic acid

6-methyl-1-pent-4-enoylpiperidine-3-carboxylic acid (PubChem CID 122083544) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 6-methyl-1-pent-4-enoylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-pent-4-enoylpiperidine-3-carboxylic acid
PubChem CID122083544
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name6-methyl-1-pent-4-enoylpiperidine-3-carboxylic acid
SMILESC=CCCC(=O)N1CC(C(=O)O)CCC1C
InChIInChI=1S/C12H19NO3/c1-3-4-5-11(14)13-8-10(12(15)16)7-6-9(13)2/h3,9-10H,1,4-8H2,2H3,(H,15,16)
InChIKeyOSCFNKAUNKEMGI-UHFFFAOYSA-N
XLogP1.66
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-1-[3-(4-methylpentan-2-yloxy)propanoyl]piperidine-3-carboxylic acid
CID 122113402
6-methyl-1-[5-oxo-5-(propan-2-ylamino)pentanoyl]piperidine-3-carboxylic acid
CID 122113639
1-pent-4-enoylpyrrolidine-3-carboxylic acid
CID 63030781
6-methyl-1-[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 122113792
1-[2-(cyclopropylmethoxy)acetyl]-6-methylpiperidine-3-carboxylic acid
CID 122113926
1-(2,5-dimethylpiperazin-1-yl)pent-4-en-1-one
CID 64979472
1-but-3-enylsulfonyl-6-methylpiperidine-3-carboxylic acid
CID 122104288
6-methyl-1-(4-prop-2-enoxybenzoyl)piperidine-3-carboxylic acid
CID 122083617
5-methyl-1-pent-4-enoylpiperidine-3-carboxylic acid
CID 122117884
1-[2-(butanoylamino)acetyl]-6-methylpiperidine-3-carboxylic acid
CID 122113995
1-[3-(4-methoxyphenoxy)propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122083922
(3R,6S)-6-methyl-1-(2-phenylacetyl)piperidine-3-carboxylic acid
CID 169210694

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-pent-4-enoylpiperidine-3-carboxylic acid?
The IUPAC name of 6-methyl-1-pent-4-enoylpiperidine-3-carboxylic acid (CID 122083544) is 6-methyl-1-pent-4-enoylpiperidine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-1-pent-4-enoylpiperidine-3-carboxylic acid?
The canonical SMILES for 6-methyl-1-pent-4-enoylpiperidine-3-carboxylic acid is C=CCCC(=O)N1CC(C(=O)O)CCC1C.
What is the InChIKey of 6-methyl-1-pent-4-enoylpiperidine-3-carboxylic acid?
The InChIKey is OSCFNKAUNKEMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-3-4-5-11(14)13-8-10(12(15)16)7-6-9(13)2/h3,9-10H,1,4-8H2,2H3,(H,15,16).
What are the key properties of 6-methyl-1-pent-4-enoylpiperidine-3-carboxylic acid?
6-methyl-1-pent-4-enoylpiperidine-3-carboxylic acid has a molecular weight of 225.29 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-pent-4-enoylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122083544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).