formamide;4-[(2Z,4Z)-4-methyl-3-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]piperidine

C17H30N2O2 — CID 144506885

IUPACformamide;4-[(2Z,4Z)-4-methyl-3-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]piperidine
SMILESC/C=C\C(=C\COC1CCNCC1)\C(C)=C/CC.NC=O
InChIInChI=1S/C16H27NO.CH3NO/c1-4-6-14(3)15(7-5-2)10-13-18-16-8-11-17-12-9-16;2-1-3/h5-7,10,16-17H,4,8-9,11-13H2,1-3H3;1H,(H2,2,3)/b7-5-,14-6-,15-10-;
InChIKeyDBMBXOYCWLYQFV-VPYTZIKRSA-N
MW294.44 g/mol
LogP2.72
Rot. Bonds6

About formamide;4-[(2Z,4Z)-4-methyl-3-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]piperidine

formamide;4-[(2Z,4Z)-4-methyl-3-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]piperidine (PubChem CID 144506885) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is formamide;4-[(2Z,4Z)-4-methyl-3-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]piperidine.

Molecular Properties

Compound Nameformamide;4-[(2Z,4Z)-4-methyl-3-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]piperidine
PubChem CID144506885
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Nameformamide;4-[(2Z,4Z)-4-methyl-3-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]piperidine
SMILESC/C=C\C(=C\COC1CCNCC1)\C(C)=C/CC.NC=O
InChIInChI=1S/C16H27NO.CH3NO/c1-4-6-14(3)15(7-5-2)10-13-18-16-8-11-17-12-9-16;2-1-3/h5-7,10,16-17H,4,8-9,11-13H2,1-3H3;1H,(H2,2,3)/b7-5-,14-6-,15-10-;
InChIKeyDBMBXOYCWLYQFV-VPYTZIKRSA-N
XLogP2.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formamide;4-[(2Z,4Z)-4-methyl-3-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]piperidine?
The IUPAC name of formamide;4-[(2Z,4Z)-4-methyl-3-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]piperidine (CID 144506885) is formamide;4-[(2Z,4Z)-4-methyl-3-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]piperidine.
What is the SMILES notation for formamide;4-[(2Z,4Z)-4-methyl-3-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]piperidine?
The canonical SMILES for formamide;4-[(2Z,4Z)-4-methyl-3-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]piperidine is C/C=C\C(=C\COC1CCNCC1)\C(C)=C/CC.NC=O.
What is the InChIKey of formamide;4-[(2Z,4Z)-4-methyl-3-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]piperidine?
The InChIKey is DBMBXOYCWLYQFV-VPYTZIKRSA-N. The full InChI is InChI=1S/C16H27NO.CH3NO/c1-4-6-14(3)15(7-5-2)10-13-18-16-8-11-17-12-9-16;2-1-3/h5-7,10,16-17H,4,8-9,11-13H2,1-3H3;1H,(H2,2,3)/b7-5-,14-6-,15-10-;.
What are the key properties of formamide;4-[(2Z,4Z)-4-methyl-3-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]piperidine?
formamide;4-[(2Z,4Z)-4-methyl-3-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]piperidine has a molecular weight of 294.44 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;4-[(2Z,4Z)-4-methyl-3-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]piperidine is sourced from PubChem (CID 144506885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).