1-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-piperazin-1-ylethanone

C15H25N3O — CID 56872505

IUPAC1-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-piperazin-1-ylethanone
SMILESC=CC[C@@H]1CC=C[C@@H](C)N1C(=O)CN1CCNCC1
InChIInChI=1S/C15H25N3O/c1-3-5-14-7-4-6-13(2)18(14)15(19)12-17-10-8-16-9-11-17/h3-4,6,13-14,16H,1,5,7-12H2,2H3/t13-,14-/m1/s1
InChIKeyZUWZGYDFVSYSNE-ZIAGYGMSSA-N
MW263.38 g/mol
LogP1.01
Rot. Bonds4

About 1-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-piperazin-1-ylethanone

1-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-piperazin-1-ylethanone (PubChem CID 56872505) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-piperazin-1-ylethanone.

Molecular Properties

Compound Name1-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-piperazin-1-ylethanone
PubChem CID56872505
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-piperazin-1-ylethanone
SMILESC=CC[C@@H]1CC=C[C@@H](C)N1C(=O)CN1CCNCC1
InChIInChI=1S/C15H25N3O/c1-3-5-14-7-4-6-13(2)18(14)15(19)12-17-10-8-16-9-11-17/h3-4,6,13-14,16H,1,5,7-12H2,2H3/t13-,14-/m1/s1
InChIKeyZUWZGYDFVSYSNE-ZIAGYGMSSA-N
XLogP1.01
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-piperazin-1-ylethanone?
The IUPAC name of 1-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-piperazin-1-ylethanone (CID 56872505) is 1-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-piperazin-1-ylethanone.
What is the SMILES notation for 1-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-piperazin-1-ylethanone?
The canonical SMILES for 1-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-piperazin-1-ylethanone is C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)CN1CCNCC1.
What is the InChIKey of 1-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-piperazin-1-ylethanone?
The InChIKey is ZUWZGYDFVSYSNE-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-5-14-7-4-6-13(2)18(14)15(19)12-17-10-8-16-9-11-17/h3-4,6,13-14,16H,1,5,7-12H2,2H3/t13-,14-/m1/s1.
What are the key properties of 1-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-piperazin-1-ylethanone?
1-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-piperazin-1-ylethanone has a molecular weight of 263.38 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-piperazin-1-ylethanone is sourced from PubChem (CID 56872505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).