(3S)-1-[(Z)-hept-4-enyl]-N,3-dimethylpiperidine-3-carboxamide

C15H28N2O — CID 164631868

IUPAC(3S)-1-[(Z)-hept-4-enyl]-N,3-dimethylpiperidine-3-carboxamide
SMILESCC/C=C\CCCN1CCC[C@](C)(C(=O)NC)C1
InChIInChI=1S/C15H28N2O/c1-4-5-6-7-8-11-17-12-9-10-15(2,13-17)14(18)16-3/h5-6H,4,7-13H2,1-3H3,(H,16,18)/b6-5-/t15-/m0/s1
InChIKeyZINHGYAQGHEFPG-YVACAVLKSA-N
MW252.40 g/mol
LogP2.58
Rot. Bonds6

About (3S)-1-[(Z)-hept-4-enyl]-N,3-dimethylpiperidine-3-carboxamide

(3S)-1-[(Z)-hept-4-enyl]-N,3-dimethylpiperidine-3-carboxamide (PubChem CID 164631868) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is (3S)-1-[(Z)-hept-4-enyl]-N,3-dimethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(Z)-hept-4-enyl]-N,3-dimethylpiperidine-3-carboxamide
PubChem CID164631868
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name(3S)-1-[(Z)-hept-4-enyl]-N,3-dimethylpiperidine-3-carboxamide
SMILESCC/C=C\CCCN1CCC[C@](C)(C(=O)NC)C1
InChIInChI=1S/C15H28N2O/c1-4-5-6-7-8-11-17-12-9-10-15(2,13-17)14(18)16-3/h5-6H,4,7-13H2,1-3H3,(H,16,18)/b6-5-/t15-/m0/s1
InChIKeyZINHGYAQGHEFPG-YVACAVLKSA-N
XLogP2.58
TPSA32.34 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 ≤ 52.58
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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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(Z)-hept-4-enyl]-N,3-dimethylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(Z)-hept-4-enyl]-N,3-dimethylpiperidine-3-carboxamide (CID 164631868) is (3S)-1-[(Z)-hept-4-enyl]-N,3-dimethylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(Z)-hept-4-enyl]-N,3-dimethylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(Z)-hept-4-enyl]-N,3-dimethylpiperidine-3-carboxamide is CC/C=C\CCCN1CCC[C@](C)(C(=O)NC)C1.
What is the InChIKey of (3S)-1-[(Z)-hept-4-enyl]-N,3-dimethylpiperidine-3-carboxamide?
The InChIKey is ZINHGYAQGHEFPG-YVACAVLKSA-N. The full InChI is InChI=1S/C15H28N2O/c1-4-5-6-7-8-11-17-12-9-10-15(2,13-17)14(18)16-3/h5-6H,4,7-13H2,1-3H3,(H,16,18)/b6-5-/t15-/m0/s1.
What are the key properties of (3S)-1-[(Z)-hept-4-enyl]-N,3-dimethylpiperidine-3-carboxamide?
(3S)-1-[(Z)-hept-4-enyl]-N,3-dimethylpiperidine-3-carboxamide has a molecular weight of 252.40 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(Z)-hept-4-enyl]-N,3-dimethylpiperidine-3-carboxamide is sourced from PubChem (CID 164631868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).