(3R)-N-cyclopropyl-N-[(3Z,5Z)-6-ethenyl-9-methoxy-4-methylnona-3,5-dienyl]piperidine-3-carboxamide

C22H36N2O2 — CID 143888451

IUPAC(3R)-N-cyclopropyl-N-[(3Z,5Z)-6-ethenyl-9-methoxy-4-methylnona-3,5-dienyl]piperidine-3-carboxamide
SMILESC=C/C(=C\C(C)=C/CCN(C(=O)[C@@H]1CCCNC1)C1CC1)CCCOC
InChIInChI=1S/C22H36N2O2/c1-4-19(9-7-15-26-3)16-18(2)8-6-14-24(21-11-12-21)22(25)20-10-5-13-23-17-20/h4,8,16,20-21,23H,1,5-7,9-15,17H2,2-3H3/b18-8-,19-16+/t20-/m1/s1
InChIKeyBTXOYGURVNIWFW-AWDBGJHTSA-N
MW360.54 g/mol
LogP3.85
Rot. Bonds11

About (3R)-N-cyclopropyl-N-[(3Z,5Z)-6-ethenyl-9-methoxy-4-methylnona-3,5-dienyl]piperidine-3-carboxamide

(3R)-N-cyclopropyl-N-[(3Z,5Z)-6-ethenyl-9-methoxy-4-methylnona-3,5-dienyl]piperidine-3-carboxamide (PubChem CID 143888451) has the molecular formula C22H36N2O2 and a molecular weight of 360.54 g/mol. Its IUPAC name is (3R)-N-cyclopropyl-N-[(3Z,5Z)-6-ethenyl-9-methoxy-4-methylnona-3,5-dienyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclopropyl-N-[(3Z,5Z)-6-ethenyl-9-methoxy-4-methylnona-3,5-dienyl]piperidine-3-carboxamide
PubChem CID143888451
Molecular FormulaC22H36N2O2
Molecular Weight360.54 g/mol
Exact Mass360.28
IUPAC Name(3R)-N-cyclopropyl-N-[(3Z,5Z)-6-ethenyl-9-methoxy-4-methylnona-3,5-dienyl]piperidine-3-carboxamide
SMILESC=C/C(=C\C(C)=C/CCN(C(=O)[C@@H]1CCCNC1)C1CC1)CCCOC
InChIInChI=1S/C22H36N2O2/c1-4-19(9-7-15-26-3)16-18(2)8-6-14-24(21-11-12-21)22(25)20-10-5-13-23-17-20/h4,8,16,20-21,23H,1,5-7,9-15,17H2,2-3H3/b18-8-,19-16+/t20-/m1/s1
InChIKeyBTXOYGURVNIWFW-AWDBGJHTSA-N
XLogP3.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopropyl-N-[(3Z,5Z)-6-ethenyl-9-methoxy-4-methylnona-3,5-dienyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-cyclopropyl-N-[(3Z,5Z)-6-ethenyl-9-methoxy-4-methylnona-3,5-dienyl]piperidine-3-carboxamide (CID 143888451) is (3R)-N-cyclopropyl-N-[(3Z,5Z)-6-ethenyl-9-methoxy-4-methylnona-3,5-dienyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclopropyl-N-[(3Z,5Z)-6-ethenyl-9-methoxy-4-methylnona-3,5-dienyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-cyclopropyl-N-[(3Z,5Z)-6-ethenyl-9-methoxy-4-methylnona-3,5-dienyl]piperidine-3-carboxamide is C=C/C(=C\C(C)=C/CCN(C(=O)[C@@H]1CCCNC1)C1CC1)CCCOC.
What is the InChIKey of (3R)-N-cyclopropyl-N-[(3Z,5Z)-6-ethenyl-9-methoxy-4-methylnona-3,5-dienyl]piperidine-3-carboxamide?
The InChIKey is BTXOYGURVNIWFW-AWDBGJHTSA-N. The full InChI is InChI=1S/C22H36N2O2/c1-4-19(9-7-15-26-3)16-18(2)8-6-14-24(21-11-12-21)22(25)20-10-5-13-23-17-20/h4,8,16,20-21,23H,1,5-7,9-15,17H2,2-3H3/b18-8-,19-16+/t20-/m1/s1.
What are the key properties of (3R)-N-cyclopropyl-N-[(3Z,5Z)-6-ethenyl-9-methoxy-4-methylnona-3,5-dienyl]piperidine-3-carboxamide?
(3R)-N-cyclopropyl-N-[(3Z,5Z)-6-ethenyl-9-methoxy-4-methylnona-3,5-dienyl]piperidine-3-carboxamide has a molecular weight of 360.54 g/mol, XLogP of 3.85, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclopropyl-N-[(3Z,5Z)-6-ethenyl-9-methoxy-4-methylnona-3,5-dienyl]piperidine-3-carboxamide is sourced from PubChem (CID 143888451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).