1-[(2R)-2,6-dimethylhept-5-enyl]piperidine-4-carboxamide

C15H28N2O — CID 26458004

IUPAC1-[(2R)-2,6-dimethylhept-5-enyl]piperidine-4-carboxamide
SMILESCC(C)=CCC[C@@H](C)CN1CCC(C(N)=O)CC1
InChIInChI=1S/C15H28N2O/c1-12(2)5-4-6-13(3)11-17-9-7-14(8-10-17)15(16)18/h5,13-14H,4,6-11H2,1-3H3,(H2,16,18)/t13-/m1/s1
InChIKeyHOARYMSXLCHYIH-CYBMUJFWSA-N
MW252.40 g/mol
LogP2.57
Rot. Bonds6

About 1-[(2R)-2,6-dimethylhept-5-enyl]piperidine-4-carboxamide

1-[(2R)-2,6-dimethylhept-5-enyl]piperidine-4-carboxamide (PubChem CID 26458004) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-[(2R)-2,6-dimethylhept-5-enyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2R)-2,6-dimethylhept-5-enyl]piperidine-4-carboxamide
PubChem CID26458004
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-[(2R)-2,6-dimethylhept-5-enyl]piperidine-4-carboxamide
SMILESCC(C)=CCC[C@@H](C)CN1CCC(C(N)=O)CC1
InChIInChI=1S/C15H28N2O/c1-12(2)5-4-6-13(3)11-17-9-7-14(8-10-17)15(16)18/h5,13-14H,4,6-11H2,1-3H3,(H2,16,18)/t13-/m1/s1
InChIKeyHOARYMSXLCHYIH-CYBMUJFWSA-N
XLogP2.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2,6-dimethylhept-5-enyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2R)-2,6-dimethylhept-5-enyl]piperidine-4-carboxamide (CID 26458004) is 1-[(2R)-2,6-dimethylhept-5-enyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2R)-2,6-dimethylhept-5-enyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2R)-2,6-dimethylhept-5-enyl]piperidine-4-carboxamide is CC(C)=CCC[C@@H](C)CN1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[(2R)-2,6-dimethylhept-5-enyl]piperidine-4-carboxamide?
The InChIKey is HOARYMSXLCHYIH-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H28N2O/c1-12(2)5-4-6-13(3)11-17-9-7-14(8-10-17)15(16)18/h5,13-14H,4,6-11H2,1-3H3,(H2,16,18)/t13-/m1/s1.
What are the key properties of 1-[(2R)-2,6-dimethylhept-5-enyl]piperidine-4-carboxamide?
1-[(2R)-2,6-dimethylhept-5-enyl]piperidine-4-carboxamide has a molecular weight of 252.40 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2,6-dimethylhept-5-enyl]piperidine-4-carboxamide is sourced from PubChem (CID 26458004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).