3-methyl-1-[methyl(pent-4-enyl)carbamoyl]piperidine-2-carboxylic acid

C14H24N2O3 — CID 107071903

IUPAC3-methyl-1-[methyl(pent-4-enyl)carbamoyl]piperidine-2-carboxylic acid
SMILESC=CCCCN(C)C(=O)N1CCCC(C)C1C(=O)O
InChIInChI=1S/C14H24N2O3/c1-4-5-6-9-15(3)14(19)16-10-7-8-11(2)12(16)13(17)18/h4,11-12H,1,5-10H2,2-3H3,(H,17,18)
InChIKeyOXMZWZRTLPOHPW-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.19
Rot. Bonds5

About 3-methyl-1-[methyl(pent-4-enyl)carbamoyl]piperidine-2-carboxylic acid

3-methyl-1-[methyl(pent-4-enyl)carbamoyl]piperidine-2-carboxylic acid (PubChem CID 107071903) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-methyl-1-[methyl(pent-4-enyl)carbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[methyl(pent-4-enyl)carbamoyl]piperidine-2-carboxylic acid
PubChem CID107071903
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3-methyl-1-[methyl(pent-4-enyl)carbamoyl]piperidine-2-carboxylic acid
SMILESC=CCCCN(C)C(=O)N1CCCC(C)C1C(=O)O
InChIInChI=1S/C14H24N2O3/c1-4-5-6-9-15(3)14(19)16-10-7-8-11(2)12(16)13(17)18/h4,11-12H,1,5-10H2,2-3H3,(H,17,18)
InChIKeyOXMZWZRTLPOHPW-UHFFFAOYSA-N
XLogP2.19
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[cyclopentylmethyl(methyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071655
1-[3-(dimethylamino)propyl-methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782672
1-hept-6-enyl-3-methylpiperidine-2-carboxylic acid
CID 107072525
3-methyl-1-prop-2-enoylpiperidine-2-carboxylic acid
CID 107069723
1-[cyclopropyl(ethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071301
1-[cyclopentyl(methyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071305
1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071482
1-[bis(cyclopropylmethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071692
1-[3-(dimethylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid
CID 107069454
1-[2-methoxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781990
1-(but-3-en-2-ylcarbamoyl)-3-methylpiperidine-2-carboxylic acid
CID 107071884
1-[cyclobutyl(2-hydroxyethyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102865465

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[methyl(pent-4-enyl)carbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-[methyl(pent-4-enyl)carbamoyl]piperidine-2-carboxylic acid (CID 107071903) is 3-methyl-1-[methyl(pent-4-enyl)carbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[methyl(pent-4-enyl)carbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-[methyl(pent-4-enyl)carbamoyl]piperidine-2-carboxylic acid is C=CCCCN(C)C(=O)N1CCCC(C)C1C(=O)O.
What is the InChIKey of 3-methyl-1-[methyl(pent-4-enyl)carbamoyl]piperidine-2-carboxylic acid?
The InChIKey is OXMZWZRTLPOHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-4-5-6-9-15(3)14(19)16-10-7-8-11(2)12(16)13(17)18/h4,11-12H,1,5-10H2,2-3H3,(H,17,18).
What are the key properties of 3-methyl-1-[methyl(pent-4-enyl)carbamoyl]piperidine-2-carboxylic acid?
3-methyl-1-[methyl(pent-4-enyl)carbamoyl]piperidine-2-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[methyl(pent-4-enyl)carbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 107071903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).