1-(3,3-dimethyl-2-methylidenepentanoyl)piperidine-2-carboxylic acid

C14H23NO3 — CID 18728270

IUPAC1-(3,3-dimethyl-2-methylidenepentanoyl)piperidine-2-carboxylic acid
SMILESC=C(C(=O)N1CCCCC1C(=O)O)C(C)(C)CC
InChIInChI=1S/C14H23NO3/c1-5-14(3,4)10(2)12(16)15-9-7-6-8-11(15)13(17)18/h11H,2,5-9H2,1,3-4H3,(H,17,18)
InChIKeyYPGYEGCHZGKCRC-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.44
Rot. Bonds4

About 1-(3,3-dimethyl-2-methylidenepentanoyl)piperidine-2-carboxylic acid

1-(3,3-dimethyl-2-methylidenepentanoyl)piperidine-2-carboxylic acid (PubChem CID 18728270) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(3,3-dimethyl-2-methylidenepentanoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3,3-dimethyl-2-methylidenepentanoyl)piperidine-2-carboxylic acid
PubChem CID18728270
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-(3,3-dimethyl-2-methylidenepentanoyl)piperidine-2-carboxylic acid
SMILESC=C(C(=O)N1CCCCC1C(=O)O)C(C)(C)CC
InChIInChI=1S/C14H23NO3/c1-5-14(3,4)10(2)12(16)15-9-7-6-8-11(15)13(17)18/h11H,2,5-9H2,1,3-4H3,(H,17,18)
InChIKeyYPGYEGCHZGKCRC-UHFFFAOYSA-N
XLogP2.44
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethyl-2-methylidenepentanoyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(3,3-dimethyl-2-methylidenepentanoyl)piperidine-2-carboxylic acid (CID 18728270) is 1-(3,3-dimethyl-2-methylidenepentanoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3,3-dimethyl-2-methylidenepentanoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(3,3-dimethyl-2-methylidenepentanoyl)piperidine-2-carboxylic acid is C=C(C(=O)N1CCCCC1C(=O)O)C(C)(C)CC.
What is the InChIKey of 1-(3,3-dimethyl-2-methylidenepentanoyl)piperidine-2-carboxylic acid?
The InChIKey is YPGYEGCHZGKCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-5-14(3,4)10(2)12(16)15-9-7-6-8-11(15)13(17)18/h11H,2,5-9H2,1,3-4H3,(H,17,18).
What are the key properties of 1-(3,3-dimethyl-2-methylidenepentanoyl)piperidine-2-carboxylic acid?
1-(3,3-dimethyl-2-methylidenepentanoyl)piperidine-2-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethyl-2-methylidenepentanoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 18728270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).